(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylamide Formula: C22H20N4OS MolecularWeight: 388.4854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4OS/c1-15-18(16(2)26(25-15)17-8-4-3-5-9-17)12-13-21(27)23-14-22-24-19-10-6-7-11-20(19)28-22/h3-13H,14H2,1-2H3,(H,23,27)/b13-12+