3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: 3-[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: 3-[3-(2-benzofuranyl)-1-phenyl-4-pyrazolyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: 3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 3-[3-(benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acrylamide Formula: C29H22N4O2S MolecularWeight: 490.57558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C=CC3=CN(N=C3C4=CC5=CC=CC=C5O4)C6=CC=CC=C6)C

InChI

InChI=1S/C29H22N4O2S/c1-18-14-19(2)27-25(15-18)36-29(31-27)30-26(34)13-12-21-17-33(22-9-4-3-5-10-22)32-28(21)24-16-20-8-6-7-11-23(20)35-24/h3-17H,1-2H3,(H,30,31,34)