(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide CAS Name: (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acrylamide Formula: C21H18N4OS MolecularWeight: 374.45882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS/c1-15-23-19-9-8-18(11-20(19)27-15)24-21(26)10-7-17-12-22-25(14-17)13-16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,26)/b10-7+