5-ethanoyl-6-methyl-2-(3-phenylpropylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-2-(3-phenylpropylsulfanyl)pyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-(3-phenylpropylsulfanyl)pyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(3-phenylpropylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-6-methyl-2-(3-phenylpropylsulfanyl)pyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(3-phenylpropylthio)nicotinonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCCCC2=CC=CC=C2)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCCCC2=CC=CC=C2)C#N)C(=O)C

InChI

InChI=1S/C18H18N2OS/c1-13-17(14(2)21)11-16(12-19)18(20-13)22-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10H2,1-2H3