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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: [2-(cyclopentylamino)-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-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-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-(cyclopentylamino)-2-keto-ethyl] ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCC3)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)NC3CCCC3)SC

InChI

InChI=1S/C18H22N4O3S/c1-12-20-21-18(26-2)22(12)15-9-7-13(8-10-15)17(24)25-11-16(23)19-14-5-3-4-6-14/h7-10,14H,3-6,11H2,1-2H3,(H,19,23)