N-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]pyridine-4-carbothioamide

Systemtic Name: N-[(E)-2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]pyridine-4-carbothioamide Openeye Name: N-[(E)-2-cyano-2-(p-tolylsulfonyl)vinyl]pyridine-4-carbothioamide CAS Name: N-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]-4-pyridinecarbothioamide IUPAC Name: N-[(E)-2-cyano-2-(4-methylphenyl)sulfonylethenyl]pyridine-4-carbothioamide Traditional Name: N-[(E)-2-cyano-2-tosyl-vinyl]thioisonicotinamide Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC(=S)C2=CC=NC=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC(=S)C2=CC=NC=C2)/C#N

InChI

InChI=1S/C16H13N3O2S2/c1-12-2-4-14(5-3-12)23(20,21)15(10-17)11-19-16(22)13-6-8-18-9-7-13/h2-9,11H,1H3,(H,19,22)/b15-11+