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

Systemtic Name: 4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Formula: C16H14N3S- MolecularWeight: 280.36746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2[S-])C3=CC=CC=C3)C

InChI

InChI=1S/C16H15N3S/c1-11-8-9-14(10-12(11)2)19-15(17-18-16(19)20)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20)/p-1