[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3CC3)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3CC3)SC

InChI

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