[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=NN3C4CCCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=NN3C4CCCC4

InChI

InChI=1S/C21H23N5O3S/c1-30-21-22-13-17(25(21)15-7-3-2-4-8-15)20(28)29-14-19(27)24-18-11-12-23-26(18)16-9-5-6-10-16/h2-4,7-8,11-13,16H,5-6,9-10,14H2,1H3,(H,24,27)