sodium 5-ethanoyl-6-methyl-4-phenyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile

Systemtic Name: sodium 5-ethanoyl-6-methyl-4-phenyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Openeye Name: sodium 5-acetyl-6-methyl-4-phenyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile CAS Name: sodium 5-acetyl-2-mercapto-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile IUPAC Name: sodium 5-acetyl-6-methyl-4-phenyl-2-sulfanyl-1,4-dihydropyridine-3-carbonitrile Traditional Name: sodium 5-acetyl-2-mercapto-6-methyl-4-phenyl-1,4-dihydropyridine-3-carbonitrile Formula: C15H14N2NaOS+ MolecularWeight: 293.33923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2OS.Na/c1-9-13(10(2)18)14(11-6-4-3-5-7-11)12(8-16)15(19)17-9;/h3-7,14,17,19H,1-2H3;/q;+1