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

Systemtic Name: 1-(azepan-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-(azepan-1-yl)-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone CAS Name: 1-(1-azepanyl)-2-(3-prop-2-enoxyphenyl)-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone IUPAC Name: 1-(azepan-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-(azepan-1-yl)-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C(C(=O)N2CCCCCC2)N3C=CC4=C(C3=S)C=NN4

Isomeric SMILES

C=CCOC1=CC=CC(=C1)C(C(=O)N2CCCCCC2)N3C=CC4=C(C3=S)C=NN4

InChI

InChI=1S/C23H26N4O2S/c1-2-14-29-18-9-7-8-17(15-18)21(22(28)26-11-5-3-4-6-12-26)27-13-10-20-19(23(27)30)16-24-25-20/h2,7-10,13,15-16,21H,1,3-6,11-12,14H2,(H,24,25)