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

Systemtic Name: methyl 3-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=CN2C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=CN2C3CC3

InChI

InChI=1S/C16H18N4O3S/c1-10-3-4-11(15(22)23-2)7-13(10)18-14(21)8-24-16-19-17-9-20(16)12-5-6-12/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,18,21)