1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(3-hydroxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(3-hydroxyphenyl)-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(C2=CC(=CC=C2)O)N3C=CC4=C(C3=S)C=NN4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(C2=CC(=CC=C2)O)N3C=CC4=C(C3=S)C=NN4

InChI

InChI=1S/C20H22N4O2S/c25-15-7-5-6-14(12-15)18(19(26)23-9-3-1-2-4-10-23)24-11-8-17-16(20(24)27)13-21-22-17/h5-8,11-13,18,25H,1-4,9-10H2,(H,21,22)