4-(4-chloranylcyclohexa-2,5-dien-1-yl)-5-ethanoyl-6-methyl-2-(3-methylbut-2-enylsulfanyl)-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 4-(4-chloranylcyclohexa-2,5-dien-1-yl)-5-ethanoyl-6-methyl-2-(3-methylbut-2-enylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(4-chlorocyclohexa-2,5-dien-1-yl)-6-methyl-2-(3-methylbut-2-enylsulfanyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-chloro-1-cyclohexa-2,5-dienyl)-6-methyl-2-(3-methylbut-2-enylthio)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(4-chlorocyclohexa-2,5-dien-1-yl)-6-methyl-2-(3-methylbut-2-enylsulfanyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(4-chlorocyclohexa-2,5-dien-1-yl)-6-methyl-2-(3-methylbut-2-enylthio)-1,4-dihydropyridine-3-carbonitrile Formula: C20H23ClN2OS MolecularWeight: 374.92742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC=C(C)C)C#N)C2C=CC(C=C2)Cl)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC=C(C)C)C#N)C2C=CC(C=C2)Cl)C(=O)C

InChI

InChI=1S/C20H23ClN2OS/c1-12(2)9-10-25-20-17(11-22)19(15-5-7-16(21)8-6-15)18(14(4)24)13(3)23-20/h5-9,15-16,19,23H,10H2,1-4H3