4,6-dimethyl-2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C

InChI

InChI=1S/C21H18N2O2S/c1-12-6-13(2)23-21(18(12)10-22)26-11-16-9-20(24)25-19-8-15-5-3-4-14(15)7-17(16)19/h6-9H,3-5,11H2,1-2H3