3-(3,4-dimethoxyphenyl)-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide Formula: C25H24N4O3S MolecularWeight: 460.54806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=C(S3)CCCC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=C(S3)CCCC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H24N4O3S/c1-31-20-13-12-16(14-21(20)32-2)23-18(15-29(28-23)17-8-4-3-5-9-17)24(30)27-25-26-19-10-6-7-11-22(19)33-25/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H,26,27,30)