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

Systemtic Name: 3-[2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C17H14N5O3S- MolecularWeight: 368.38976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H15N5O3S/c18-22-15(11-5-2-1-3-6-11)20-21-17(22)26-10-14(23)19-13-8-4-7-12(9-13)16(24)25/h1-9H,10,18H2,(H,19,23)(H,24,25)/p-1