1-(4-oxidanyl-4-phenyl-piperidin-1-yl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone

Systemtic Name: 1-(4-oxidanyl-4-phenyl-piperidin-1-yl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Openeye Name: 2-(3-allyloxyphenyl)-1-(4-hydroxy-4-phenyl-1-piperidyl)-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone CAS Name: 1-(4-hydroxy-4-phenyl-1-piperidinyl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone IUPAC Name: 1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Traditional Name: 2-(3-allyloxyphenyl)-1-(4-hydroxy-4-phenyl-piperidino)-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(C(=O)N2CCC(CC2)(C3=CC=CC=C3)O)N4C=CC5=C(C4=S)C=NN5

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(C(=O)N2CCC(CC2)(C3=CC=CC=C3)O)N4C=CC5=C(C4=S)C=NN5

InChI

InChI=1S/C28H28N4O3S/c1-2-17-35-22-10-6-7-20(18-22)25(32-14-11-24-23(27(32)36)19-29-30-24)26(33)31-15-12-28(34,13-16-31)21-8-4-3-5-9-21/h2-11,14,18-19,25,34H,1,12-13,15-17H2,(H,29,30)