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

Systemtic Name: sodium 5-ethanoyl-6-methyl-4-(3-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: sodium 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: sodium 5-acetyl-2-mercapto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile IUPAC Name: sodium 5-acetyl-6-methyl-4-(3-nitrophenyl)-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: sodium 5-acetyl-2-mercapto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile Formula: C15H13N3NaO3S+ MolecularWeight: 338.33679

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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.[Na+]

Isomeric SMILES

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

InChI

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