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

Systemtic Name: methyl 3-[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H20N4O3S/c1-10(2)14-18-19-16(20(14)3)24-9-13(21)17-12-7-5-6-11(8-12)15(22)23-4/h5-8,10H,9H2,1-4H3,(H,17,21)