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

Systemtic Name: 5-ethanoyl-4-(furan-3-yl)-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-4-(3-furyl)-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-4-(3-furanyl)-6-methyl-2-[(3-nitrophenyl)methylthio]-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-4-(furan-3-yl)-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-4-(3-furyl)-6-methyl-2-[(3-nitrobenzyl)thio]-1,4-dihydropyridine-3-carbonitrile Formula: C20H17N3O4S MolecularWeight: 395.43168

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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=COC=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S/c1-12-18(13(2)24)19(15-6-7-27-10-15)17(9-21)20(22-12)28-11-14-4-3-5-16(8-14)23(25)26/h3-8,10,19,22H,11H2,1-2H3