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

Systemtic Name: propan-2-yl 4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

InChI

InChI=1S/C17H22N4O3S/c1-11(2)21-10-18-20-17(21)25-9-15(22)19-14-7-5-13(6-8-14)16(23)24-12(3)4/h5-8,10-12H,9H2,1-4H3,(H,19,22)