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

Systemtic Name: 5-ethanoyl-6-methyl-4-(3-methylthiophen-2-yl)-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(3-methyl-2-thienyl)-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-4-(3-methyl-2-thiophenyl)-2-[(3-nitrophenyl)methylthio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-4-(3-methyl-2-thienyl)-2-[(3-nitrobenzyl)thio]-1,4-dihydropyridine-3-carbonitrile Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(=C(NC(=C2C(=O)C)C)SCC3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(SC=C1)C2C(=C(NC(=C2C(=O)C)C)SCC3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H19N3O3S2/c1-12-7-8-28-20(12)19-17(10-22)21(23-13(2)18(19)14(3)25)29-11-15-5-4-6-16(9-15)24(26)27/h4-9,19,23H,11H2,1-3H3