4-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate

Systemtic Name: 4-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Openeye Name: 4-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate CAS Name: 4-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate IUPAC Name: 4-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzoate Formula: C15H10N3O2S- MolecularWeight: 296.3238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H11N3O2S/c19-14(20)11-6-8-12(9-7-11)18-13(16-17-15(18)21)10-4-2-1-3-5-10/h1-9H,(H,17,21)(H,19,20)/p-1