4-(4-butylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-butylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-(2-thienyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-(2-thienyl)-1H-1,2,4-triazole-5-thione Formula: C16H17N3S2 MolecularWeight: 315.45628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CS3

InChI

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