N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propionamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-25(16-21(27)24-19-10-6-7-11-20(19)29-2)22(28)13-12-17-14-23-26(15-17)18-8-4-3-5-9-18/h3-11,14-15H,12-13,16H2,1-2H3,(H,24,27)