N-(2-cyclohexa-1,3-dien-1-ylcarbonyl-3-oxidanylidene-3-phenyl-prop-1-enyl)pyridine-4-carbothioamide

Systemtic Name: N-(2-cyclohexa-1,3-dien-1-ylcarbonyl-3-oxidanylidene-3-phenyl-prop-1-enyl)pyridine-4-carbothioamide Openeye Name: N-(2-benzoyl-3-cyclohexa-1,3-dien-1-yl-3-oxo-prop-1-enyl)pyridine-4-carbothioamide CAS Name: N-[2-benzoyl-3-(1-cyclohexa-1,3-dienyl)-3-oxoprop-1-enyl]-4-pyridinecarbothioamide IUPAC Name: N-(2-benzoyl-3-cyclohexa-1,3-dien-1-yl-3-oxoprop-1-enyl)pyridine-4-carbothioamide Traditional Name: N-(2-benzoyl-3-cyclohexa-1,3-dien-1-yl-3-keto-prop-1-enyl)thioisonicotinamide Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)C(=O)C(=CNC(=S)C2=CC=NC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(=CC=C1)C(=O)C(=CNC(=S)C2=CC=NC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O2S/c25-20(16-7-3-1-4-8-16)19(21(26)17-9-5-2-6-10-17)15-24-22(27)18-11-13-23-14-12-18/h1-5,7-9,11-15H,6,10H2,(H,24,27)