2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN(C)CC(=O)NC2=CC=CC=C2SC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1CN(C)CC(=O)NC2=CC=CC=C2SC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4OS/c1-15-17(21(22)26(24-15)16-9-5-4-6-10-16)13-25(2)14-20(27)23-18-11-7-8-12-19(18)28-3/h4-12H,13-14H2,1-3H3,(H,23,27)