2-cyano-1-methyl-N-phenyl-8-sulfanylidene-7H-1,7-naphthyridin-1-ium-5-carboxamide

Systemtic Name: 2-cyano-1-methyl-N-phenyl-8-sulfanylidene-7H-1,7-naphthyridin-1-ium-5-carboxamide Openeye Name: 2-cyano-1-methyl-N-phenyl-8-thioxo-7H-1,7-naphthyridin-1-ium-5-carboxamide CAS Name: 2-cyano-1-methyl-N-phenyl-8-sulfanylidene-7H-1,7-naphthyridin-1-ium-5-carboxamide IUPAC Name: 2-cyano-1-methyl-N-phenyl-8-sulfanylidene-7H-1,7-naphthyridin-1-ium-5-carboxamide Traditional Name: 2-cyano-1-methyl-N-phenyl-8-thioxo-7H-1,7-naphthyridin-1-ium-5-carboxamide Formula: C17H13N4OS+ MolecularWeight: 321.37632

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=C1C(=S)NC=C2C(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

C[N+]1=C(C=CC2=C1C(=S)NC=C2C(=O)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H12N4OS/c1-21-12(9-18)7-8-13-14(10-19-17(23)15(13)21)16(22)20-11-5-3-2-4-6-11/h2-8,10H,1H3,(H-,19,20,22,23)/p+1