109901-88-4
1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-4-(1H-INDOL-3-YLMETHYLENE)-2-METHYL-5-OXO-, ((4-(DIMETHYLAMINO)PHENYL)((2-METHYLPHENYL)AZO)METH YLENE)HYDRAZIDE
Name1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-4-(1H-INDOL-3-YLMETHYLENE)-2-METHYL-5-OXO-, ((4-(DIMETHYLAMINO)PHENYL)((2-METHYLPHENYL)AZO)METH YLENE)HYDRAZIDE
pro_formulaC30 H28 N8 O S
1Identification
【Name】
1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-4-(1H-INDOL-3-YLMETHYLENE)-2-METHYL-5-OXO-, ((4-(DIMETHYLAMINO)PHENYL)((2-METHYLPHENYL)AZO)METH YLENE)HYDRAZIDE
【CAS】
【MDL】
MFCD01753448
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C30 H28 N8 O S
【pro_molWeight】
548.672
【Inchi】
InChI=1S/C30H28N8OS/c1-19-9-5-7-11-25(19)33-34-28(21-13-15-23(16-14-21)37(3)4)35-36-30(40)38-20(2)32-27(29(38)39)17-22-18-31-26-12-8-6-10-24(22)26/h5-18,31H,1-4H3,(H,36,40)/b27-17+,34-33+,35-28+
【InChIKey】
InChIKey=FRXUCEWMNLUGFB-KVUNELJZSA-N
【SMILES】
Cc1ccccc1/N=N/C(=N/NC(=S)N2C(=N/C(=C/c3c[nH]c4c3cccc4)/C2=O)C)/c5ccc(cc5)N(C)C
【MOL File】
1H-IMIDAZOLE-1-CARBO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-4-(1H-INDOL-3-YLMETHYLENE)-2-METHYL-5-OXO-, ((4-(DIMETHYLAMINO)PHENYL)((2-METHYLPHENYL)AZO)METH YLENE)HYDRAZIDE.cml