(2E)-2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylidene]-1-benzothiophen-3-one

Systemtic Name: (2E)-2-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylidene]-1-benzothiophen-3-one Openeye Name: (2E)-2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylene]benzothiophen-3-one CAS Name: (2E)-2-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylidene]-1-benzothiophen-3-one IUPAC Name: (2E)-2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylidene]-1-benzothiophen-3-one Traditional Name: (2E)-2-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylene]benzothiophen-3-one Formula: C21H18N2OS MolecularWeight: 346.44542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=C3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=C/3\C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2OS/c1-14-18(12-20-21(24)17-10-6-7-11-19(17)25-20)15(2)23(22-14)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3/b20-12+