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

Systemtic Name: methyl 3-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C3CC3

InChI

InChI=1S/C18H22N4O3S/c1-4-22-16(12-7-8-12)20-21-18(22)26-10-15(23)19-14-9-13(17(24)25-3)6-5-11(14)2/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,19,23)