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

Systemtic Name: methyl 4-[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H18N4O3S/c1-9(2)13-17-15(19-18-13)23-8-12(20)16-11-6-4-10(5-7-11)14(21)22-3/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,18,19)