(E)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-phenylsulfanyl-prop-2-enamide

Systemtic Name: (E)-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-phenylsulfanyl-prop-2-enamide Openeye Name: (E)-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-phenylsulfanyl-prop-2-enamide CAS Name: (E)-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(phenylthio)-2-propenamide IUPAC Name: (E)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-phenylsulfanylprop-2-enamide Traditional Name: (E)-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(phenylthio)acrylamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C22H23N3OS/c1-17-21(18(2)25(24-17)16-19-9-5-3-6-10-19)15-23-22(26)13-14-27-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3,(H,23,26)/b14-13+