3-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoate IUPAC Name: 3-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C17H13N4O3S- MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H14N4O3S/c22-14(18-13-8-4-7-12(9-13)16(23)24)10-25-17-19-15(20-21-17)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,22)(H,23,24)(H,19,20,21)/p-1