2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-phenyl-5-phenylazanyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]acetate IUPAC Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)thio]acetate Formula: C16H13N4O2S- MolecularWeight: 325.36502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c21-14(22)11-23-16-19-18-15(17-12-7-3-1-4-8-12)20(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)(H,21,22)/p-1