1024582-10-2
4-PHENYL-3-(2,3,6-TRIAZINO[5,4-B]INDOL-3-YLTHIOMETHYL)-1,2,4-TRIAZOLINE-5-THIONE
Name4-PHENYL-3-(2,3,6-TRIAZINO[5,4-B]INDOL-3-YLTHIOMETHYL)-1,2,4-TRIAZOLINE-5-THIONE
1Identification
【Name】
4-PHENYL-3-(2,3,6-TRIAZINO[5,4-B]INDOL-3-YLTHIOMETHYL)-1,2,4-TRIAZOLINE-5-THIONE
【CAS】
【MDL】
MFCD00245704
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H13 N7 S2
【pro_molWeight】
391.482
【Inchi】
InChI=1S/C18H13N7S2/c26-18-24-21-14(25(18)11-6-2-1-3-7-11)10-27-17-20-16-15(22-23-17)12-8-4-5-9-13(12)19-16/h1-9H,10H2,(H,24,26)(H,19,20,23)
【InChIKey】
InChIKey=UNZXHINHKLHYCG-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(n[nH]c2=S)CSc3nc4c(c5ccccc5[nH]4)nn3
【MOL File】
4-PHENYL-3-(2,3,6-TR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-PHENYL-3-(2,3,6-TRIAZINO[5,4-B]INDOL-3-YLTHIOMETHYL)-1,2,4-TRIAZOLINE-5-THIONE.cml