(E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thiocarbamoyl]acrylamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-14-20(15(2)26(25-14)18-6-4-3-5-7-18)24-21(28)23-19(27)13-10-16-8-11-17(22)12-9-16/h3-13H,1-2H3,(H2,23,24,27,28)/b13-10+