N-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(4-chloroanilino)-2-oxo-ethyl]-N-methyl-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(4-chloroanilino)-2-keto-ethyl]-N-methyl-2-(phenylthio)nicotinamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H18ClN3O2S/c1-25(14-19(26)24-16-11-9-15(22)10-12-16)21(27)18-8-5-13-23-20(18)28-17-6-3-2-4-7-17/h2-13H,14H2,1H3,(H,24,26)