N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-2-(phenylthio)nicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N3O2S/c1-15-8-6-12-19(16(15)2)25-20(26)14-24-21(27)18-11-7-13-23-22(18)28-17-9-4-3-5-10-17/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)