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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S/c1-26-18(25)15-9-7-14(8-10-15)11-20-17(24)12-27-19-22-21-13-23(19)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,20,24)