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

Systemtic Name: 1-(azepan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone CAS Name: 1-(1-azepanyl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c25-19(23-11-6-1-2-7-12-23)18(15-8-4-3-5-9-15)24-13-10-17-16(20(24)26)14-21-22-17/h3-5,8-10,13-14,18H,1-2,6-7,11-12H2,(H,21,22)