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

Systemtic Name: 5-ethanoyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-(2-thienyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylthio]-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-thiophen-2-yl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-[(3-nitrobenzyl)thio]-4-(2-thienyl)-1,4-dihydropyridine-3-carbonitrile Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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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)C3=CC=CS3)C(=O)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CS3)C(=O)C

InChI

InChI=1S/C20H17N3O3S2/c1-12-18(13(2)24)19(17-7-4-8-27-17)16(10-21)20(22-12)28-11-14-5-3-6-15(9-14)23(25)26/h3-9,19,22H,11H2,1-2H3