4-(3-methylphenyl)-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-methylphenyl)-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(m-tolyl)-3-(5-propyl-3-thienyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-methylphenyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-methylphenyl)-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(m-tolyl)-3-(5-propyl-3-thienyl)-1H-1,2,4-triazole-5-thione Formula: C16H17N3S2 MolecularWeight: 315.45628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C2=NNC(=S)N2C3=CC=CC(=C3)C

Isomeric SMILES

CCCC1=CC(=CS1)C2=NNC(=S)N2C3=CC=CC(=C3)C

InChI

InChI=1S/C16H17N3S2/c1-3-5-14-9-12(10-21-14)15-17-18-16(20)19(15)13-7-4-6-11(2)8-13/h4,6-10H,3,5H2,1-2H3,(H,18,20)