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

Systemtic Name: 4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C16H16N3S2- MolecularWeight: 314.44834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2[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)/p-1