2-[(4-cyanophenyl)methylsulfanyl]-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-5-ethanoyl-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(4-cyanophenyl)methylsulfanyl]-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(4-cyanophenyl)methylthio]-4-(2-furanyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-2-[(4-cyanophenyl)methylsulfanyl]-4-(furan-2-yl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(4-cyanobenzyl)thio]-4-(2-furyl)-6-methyl-1,4-dihydropyridine-3-carbonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)C#N)C#N)C3=CC=CO3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC=C(C=C2)C#N)C#N)C3=CC=CO3)C(=O)C

InChI

InChI=1S/C21H17N3O2S/c1-13-19(14(2)25)20(18-4-3-9-26-18)17(11-23)21(24-13)27-12-16-7-5-15(10-22)6-8-16/h3-9,20,24H,12H2,1-2H3