N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Traditional Name: N-homoveratryl-1-methyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C(CSC3=CC=CC=C32)C(=N1)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H23N3O3S/c1-25-21-15-6-4-5-7-19(15)29-13-16(21)20(24-25)22(26)23-11-10-14-8-9-17(27-2)18(12-14)28-3/h4-9,12H,10-11,13H2,1-3H3,(H,23,26)