(E)-N-(3-methylsulfanylphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(3-methylsulfanylphenyl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide CAS Name: (E)-N-[3-(methylthio)phenyl]-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-N-[3-(methylthio)phenyl]acrylamide Formula: C20H19N3OS MolecularWeight: 349.44936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C=CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3OS/c1-25-19-9-5-8-18(12-19)22-20(24)11-10-17-13-21-23(15-17)14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,22,24)/b11-10+