5-(4-methoxyphenyl)carbonyl-6-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-(4-methoxyphenyl)carbonyl-6-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-5-(4-methoxybenzoyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 5-[(4-methoxyphenyl)-oxomethyl]-6-methyl-2-(2-oxopropylthio)-3-pyridinecarbonitrile IUPAC Name: 5-(4-methoxybenzoyl)-6-methyl-2-(2-oxopropylsulfanyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-methyl-5-p-anisoyl-nicotinonitrile Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)C)C#N)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)C)C#N)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H16N2O3S/c1-11(21)10-24-18-14(9-19)8-16(12(2)20-18)17(22)13-4-6-15(23-3)7-5-13/h4-8H,10H2,1-3H3