2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-6-methyl-nicotinonitrile Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(C=C3C#N)C(=O)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(C=C3C#N)C(=O)C)C)C

InChI

InChI=1S/C21H18N2O3S/c1-11-5-6-17-16(8-19(25)26-20(17)12(11)2)10-27-21-15(9-22)7-18(14(4)24)13(3)23-21/h5-8H,10H2,1-4H3