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

Systemtic Name: methyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S/c1-12(17(24)20-15-10-8-14(9-11-15)18(25)26-2)27-19-21-16(22-23-19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,24)(H,21,22,23)