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

Systemtic Name: cyclohexyl 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanoate Openeye Name: cyclohexyl 2-phenyl-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)acetate CAS Name: 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)acetate Traditional Name: 2-phenyl-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)acetic acid cyclohexyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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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=NN4

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c24-20(25-15-9-5-2-6-10-15)18(14-7-3-1-4-8-14)23-12-11-17-16(19(23)26)13-21-22-17/h1,3-4,7-8,11-13,15,18H,2,5-6,9-10H2,(H,21,22)