4-[(4-chlorophenyl)methyl]-3-(5-methyl-4-phenyl-thiophen-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(4-chlorophenyl)methyl]-3-(5-methyl-4-phenyl-thiophen-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-chlorophenyl)methyl]-3-(5-methyl-4-phenyl-3-thienyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-chlorophenyl)methyl]-3-(5-methyl-4-phenyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-chlorophenyl)methyl]-3-(5-methyl-4-phenylthiophen-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorobenzyl)-3-(5-methyl-4-phenyl-3-thienyl)-1H-1,2,4-triazole-5-thione Formula: C20H16ClN3S2 MolecularWeight: 397.94414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CS1)C2=NNC(=S)N2CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CS1)C2=NNC(=S)N2CC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H16ClN3S2/c1-13-18(15-5-3-2-4-6-15)17(12-26-13)19-22-23-20(25)24(19)11-14-7-9-16(21)10-8-14/h2-10,12H,11H2,1H3,(H,23,25)