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

Systemtic Name: 4-(1-phenylethyl)-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-phenylethyl)-3-(5-propyl-3-thienyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1-phenylethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-phenylethyl)-3-(5-propylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-phenylethyl)-3-(5-propyl-3-thienyl)-1H-1,2,4-triazole-5-thione Formula: C17H19N3S2 MolecularWeight: 329.48286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CS1)C2=NNC(=S)N2C(C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=CS1)C2=NNC(=S)N2C(C)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3S2/c1-3-7-15-10-14(11-22-15)16-18-19-17(21)20(16)12(2)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,19,21)