6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 6-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-5-cyano-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 6-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-N-phenyl-nicotinamide Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)C#N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NC2=CC3=C(C=C2)OCO3)C#N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O4S/c1-14-18(22(29)27-16-5-3-2-4-6-16)9-15(11-24)23(25-14)32-12-21(28)26-17-7-8-19-20(10-17)31-13-30-19/h2-10H,12-13H2,1H3,(H,26,28)(H,27,29)