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

Systemtic Name: 2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-4,5,6-trimethyl-nicotinonitrile Formula: C21H20N2O2S MolecularWeight: 364.4607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2S/c1-11-6-7-17-16(8-19(24)25-20(17)12(11)2)10-26-21-18(9-22)14(4)13(3)15(5)23-21/h6-8H,10H2,1-5H3