(4R)-5-ethanoyl-4-(4-ethylphenyl)-6-methyl-2-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-3-carbonitrile

Systemtic Name: (4R)-5-ethanoyl-4-(4-ethylphenyl)-6-methyl-2-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-3-carbonitrile Openeye Name: (4R)-5-acetyl-4-(4-ethylphenyl)-6-methyl-2-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-3-carbonitrile CAS Name: (4R)-5-acetyl-4-(4-ethylphenyl)-6-methyl-2-(3-methylbut-2-enylthio)-3,4-dihydropyridine-3-carbonitrile IUPAC Name: (4R)-5-acetyl-4-(4-ethylphenyl)-6-methyl-2-(3-methylbut-2-enylsulfanyl)-3,4-dihydropyridine-3-carbonitrile Traditional Name: (4R)-5-acetyl-4-(4-ethylphenyl)-6-methyl-2-(3-methylbut-2-enylthio)-3,4-dihydropyridine-3-carbonitrile Formula: C22H26N2OS MolecularWeight: 366.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=NC(=C2C(=O)C)C)SCC=C(C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C(C(=NC(=C2C(=O)C)C)SCC=C(C)C)C#N

InChI

InChI=1S/C22H26N2OS/c1-6-17-7-9-18(10-8-17)21-19(13-23)22(26-12-11-14(2)3)24-15(4)20(21)16(5)25/h7-11,19,21H,6,12H2,1-5H3/t19?,21-/m0/s1