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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-16-20(17(2)24(23-16)18-9-5-3-6-10-18)15-22-21(25)13-14-26-19-11-7-4-8-12-19/h3-14H,15H2,1-2H3,(H,22,25)/b14-13+