3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 3-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)acrylamide Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C=CC3=CN(N=C3C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C=CC3=CN(N=C3C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3S/c1-18-8-7-11-24-26(18)30-28(36-24)29-25(33)15-13-20-17-32(21-9-5-4-6-10-21)31-27(20)19-12-14-22(34-2)23(16-19)35-3/h4-17H,1-3H3,(H,29,30,33)