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

Systemtic Name: methyl 3-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-cyclopropyl-1H-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=NNC(=N2)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NNC(=N2)C3CC3

InChI

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