AC1LTJHI

1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea

Also Known As: 1-[[2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-(4-methylphenyl)thiourea|2-({[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)-N-(4-methylphenyl)hydrazinecarbothioamide|2-(2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)-N-(p-tolyl)hydrazinecarbothioamide|2-{5-[4-(tert-butyl)phenyl]-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)}-N-({[( 4-methylphenyl)amino]thioxomethyl}amino)acetamide

Molecular Formula	C29H32N6OS2
Molecular Weight	544.2079 g/mol
LogP	5.95854
Topological Polar Surface Area	83.87 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	544.2079
Monoisotopic Mass	544.2079
Heavy Atoms	38
Complexity	1405.7063

Chemical Identifiers

CAS Number	488137-63-9
SMILES	CC1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(C)(C)C