5-cyano-2,4-dimethyl-N-phenyl-6-sulfanylidene-1H-pyridine-3-carboxamide; ethanoic acid

Systemtic Name: 5-cyano-2,4-dimethyl-N-phenyl-6-sulfanylidene-1H-pyridine-3-carboxamide; ethanoic acid Openeye Name: acetic acid; 5-cyano-2,4-dimethyl-N-phenyl-6-thioxo-1H-pyridine-3-carboxamide CAS Name: acetic acid; 5-cyano-2,4-dimethyl-N-phenyl-6-sulfanylidene-1H-pyridine-3-carboxamide IUPAC Name: acetic acid; 5-cyano-2,4-dimethyl-N-phenyl-6-sulfanylidene-1H-pyridine-3-carboxamide Traditional Name: acetic acid; 5-cyano-2,4-dimethyl-N-phenyl-6-thioxo-1H-pyridine-3-carboxamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)NC(=C1C(=O)NC2=CC=CC=C2)C)C#N.CC(=O)O

Isomeric SMILES

CC1=C(C(=S)NC(=C1C(=O)NC2=CC=CC=C2)C)C#N.CC(=O)O

InChI

InChI=1S/C15H13N3OS.C2H4O2/c1-9-12(8-16)15(20)17-10(2)13(9)14(19)18-11-6-4-3-5-7-11;1-2(3)4/h3-7H,1-2H3,(H,17,20)(H,18,19);1H3,(H,3,4)