5-ethanoyl-6-methyl-4-phenyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-4-phenyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-allylsulfanyl-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-phenyl-2-(prop-2-enylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-phenyl-2-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-(allylthio)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2OS/c1-4-10-22-18-15(11-19)17(14-8-6-5-7-9-14)16(13(3)21)12(2)20-18/h4-9,17,20H,1,10H2,2-3H3