3-cyano-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-(1-methylpyrrol-2-yl)-2-oxidanylidene-pyridine-1-carbothioamide

Systemtic Name: 3-cyano-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-(1-methylpyrrol-2-yl)-2-oxidanylidene-pyridine-1-carbothioamide Openeye Name: 3-cyano-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-pyridine-1-carbothioamide CAS Name: 3-cyano-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-(1-methyl-2-pyrrolyl)-2-oxo-1-pyridinecarbothioamide IUPAC Name: 3-cyano-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-4-(1-methylpyrrol-2-yl)-2-oxopyridine-1-carbothioamide Traditional Name: 3-cyano-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)-2-keto-4-(1-methylpyrrol-2-yl)pyridine-1-carbothioamide Formula: C26H21FN4O3S MolecularWeight: 488.533343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=C(C(=O)N(C(=C2)C3=CC(=C(C=C3)OC)OC)C(=S)NC4=CC=C(C=C4)F)C#N

Isomeric SMILES

CN1C=CC=C1C2=C(C(=O)N(C(=C2)C3=CC(=C(C=C3)OC)OC)C(=S)NC4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C26H21FN4O3S/c1-30-12-4-5-21(30)19-14-22(16-6-11-23(33-2)24(13-16)34-3)31(25(32)20(19)15-28)26(35)29-18-9-7-17(27)8-10-18/h4-14H,1-3H3,(H,29,35)