2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-cyanophenyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-cyanophenyl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(3-cyanophenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(3-cyanophenyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(3-cyanophenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(3-cyanophenyl)nicotinamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H16N4O4S/c23-11-14-3-1-4-15(9-14)26-21(28)17-5-2-8-24-22(17)31-12-20(27)25-16-6-7-18-19(10-16)30-13-29-18/h1-10H,12-13H2,(H,25,27)(H,26,28)