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

Systemtic Name: 5-ethanoyl-6-methyl-2-methylsulfanyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-2-methylsulfanyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-6-methyl-2-(methylthio)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-2-methylsulfanyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-6-methyl-2-(methylthio)-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-9-14(10(2)20)15(13(8-17)16(18-9)23-3)11-4-6-12(7-5-11)19(21)22/h4-7,15,18H,1-3H3