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

Systemtic Name: 1-(azocan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Openeye Name: 1-(azocan-1-yl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone CAS Name: 1-(1-azocanyl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone IUPAC Name: 1-(azocan-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Traditional Name: 1-(azocan-1-yl)-2-phenyl-2-(4-thioxo-1H-pyrazolo[4,3-c]pyridin-5-yl)ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C=NN4

Isomeric SMILES

C1CCCN(CCC1)C(=O)C(C2=CC=CC=C2)N3C=CC4=C(C3=S)C=NN4

InChI

InChI=1S/C21H24N4OS/c26-20(24-12-7-2-1-3-8-13-24)19(16-9-5-4-6-10-16)25-14-11-18-17(21(25)27)15-22-23-18/h4-6,9-11,14-15,19H,1-3,7-8,12-13H2,(H,22,23)