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

Systemtic Name: 5-ethanoyl-6-methyl-4-(2-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: 5-acetyl-2-mercapto-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: 5-acetyl-2-mercapto-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-8-13(9(2)19)14(11(7-16)15(22)17-8)10-5-3-4-6-12(10)18(20)21/h3-6,14,17,22H,1-2H3