2-oxidanylidene-4-(1-phenyl-2-sulfanylidene-pyridin-3-yl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-oxidanylidene-4-(1-phenyl-2-sulfanylidene-pyridin-3-yl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-oxo-4-(1-phenyl-2-thioxo-3-pyridyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-oxo-4-(1-phenyl-2-sulfanylidene-3-pyridinyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-oxo-4-(1-phenyl-2-sulfanylidenepyridin-3-yl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-keto-4-(1-phenyl-2-thioxo-3-pyridyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonitrile Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)NC(=O)C(=C2C3=CC=CN(C3=S)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(CC1)NC(=O)C(=C2C3=CC=CN(C3=S)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H19N3OS/c23-14-18-20(16-10-5-2-6-12-19(16)24-21(18)26)17-11-7-13-25(22(17)27)15-8-3-1-4-9-15/h1,3-4,7-9,11,13H,2,5-6,10,12H2,(H,24,26)