2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=C(C(=CC(=N3)C)C)C#N)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=C(C(=CC(=N3)C)C)C#N)O

InChI

InChI=1S/C20H18N2O3S/c1-4-13-6-15-14(7-19(24)25-18(15)8-17(13)23)10-26-20-16(9-21)11(2)5-12(3)22-20/h5-8,23H,4,10H2,1-3H3