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

Systemtic Name: methyl 4-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3S/c1-25-17(24)13-7-9-14(10-8-13)21-16(23)11-26-18-19-12-20-22(18)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,21,23,24)/p+1