5-ethanoyl-6-methyl-4-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-6-methyl-4-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-isobutyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-(2-methylpropyl)-2-[(3-nitrophenyl)methylthio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-(2-methylpropyl)-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-isobutyl-6-methyl-2-[(3-nitrobenzyl)thio]-1,4-dihydropyridine-3-carbonitrile Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)CC(C)C)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)CC(C)C)C(=O)C

InChI

InChI=1S/C20H23N3O3S/c1-12(2)8-17-18(10-21)20(22-13(3)19(17)14(4)24)27-11-15-6-5-7-16(9-15)23(25)26/h5-7,9,12,17,22H,8,11H2,1-4H3