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

Systemtic Name: 4-(4-butylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-butylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-(4-butylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-butylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-butylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Formula: C18H18N3S- MolecularWeight: 308.42062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3S/c1-2-3-7-14-10-12-16(13-11-14)21-17(19-20-18(21)22)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7H2,1H3,(H,20,22)/p-1