(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(methylthio)phenyl]acrylamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H21N3OS/c1-15-20(16(2)24(23-15)18-7-5-4-6-8-18)13-14-21(25)22-17-9-11-19(26-3)12-10-17/h4-14H,1-3H3,(H,22,25)/b14-13+