cyclohexyl 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-ethanoate

Systemtic Name: cyclohexyl 2-(3-oxidanylidene-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-ethanoate Openeye Name: cyclohexyl 2-(3-oxo-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-acetate CAS Name: 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-oxo-4-sulfanylidene-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenylacetate Traditional Name: 2-(3-keto-4-thioxo-1,2-dihydropyrazolo[4,3-c]pyridin-5-yl)-2-phenyl-acetic acid cyclohexyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C(=O)NN4

InChI

InChI=1S/C20H21N3O3S/c24-18-16-15(21-22-18)11-12-23(19(16)27)17(13-7-3-1-4-8-13)20(25)26-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14,17H,2,5-6,9-10H2,(H2,21,22,24)