478255-74-2
5-(3-METHYLPHENYL)-4-[[(E)-(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
Name5-(3-METHYLPHENYL)-4-[[(E)-(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
pro_formulaC19 H20 N4 O3 S
1Identification
【Name】
5-(3-METHYLPHENYL)-4-[[(E)-(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
【CAS】
【MDL】
MFCD01064759
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H20 N4 O3 S
【pro_molWeight】
384.458
【Inchi】
InChI=1S/C19H20N4O3S/c1-12-6-5-7-14(8-12)18-21-22-19(27)23(18)20-11-13-9-15(24-2)17(26-4)16(10-13)25-3/h5-11H,1-4H3,(H,22,27)/b20-11+
【InChIKey】
InChIKey=NWTIDBYWIDFOIV-RGVLZGJSSA-N
【SMILES】
Cc1cccc(c1)c2nnc(n2/N=C/c3cc(c(c(c3)OC)OC)OC)S
【MOL File】
5-(3-METHYLPHENYL)-4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(3-METHYLPHENYL)-4-[[(E)-(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE.cml