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

Systemtic Name: 3-methyl-4-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 3-methyl-4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-methyl-4-[[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoate IUPAC Name: 3-methyl-4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-methyl-4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoate Formula: C18H15N4O3S- MolecularWeight: 367.4017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[O-])NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

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