(E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-N-[3-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)-N-[3-(methylthio)phenyl]acrylamide Formula: C18H22ClN3OS MolecularWeight: 363.90478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC(=CC=C2)SC)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC(=CC=C2)SC)Cl)CC(C)C

InChI

InChI=1S/C18H22ClN3OS/c1-12(2)11-22-18(19)16(13(3)21-22)8-9-17(23)20-14-6-5-7-15(10-14)24-4/h5-10,12H,11H2,1-4H3,(H,20,23)/b9-8+