[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 2-[bis(fluoranyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(difluoromethylthio)-3-pyridinecarboxylic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(difluoromethylthio)nicotinic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C17H13F2N3O3S MolecularWeight: 377.365226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)CCOC(=O)C2=C(N=CC=C2)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)CCOC(=O)C2=C(N=CC=C2)SC(F)F

InChI

InChI=1S/C17H13F2N3O3S/c18-17(19)26-15-12(5-3-8-21-15)16(24)25-9-7-14(23)22-13-6-2-1-4-11(13)10-20/h1-6,8,17H,7,9H2,(H,22,23)