3-[(3-phenylazanyl-1H-pyrazol-5-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)benzamide

Systemtic Name: 3-[(3-phenylazanyl-1H-pyrazol-5-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)benzamide Openeye Name: 3-[(3-anilino-1H-pyrazol-5-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)benzamide CAS Name: 3-[(3-anilino-1H-pyrazol-5-yl)methylthio]-N-(3,4,5-trimethoxyphenyl)benzamide IUPAC Name: 3-[(3-anilino-1H-pyrazol-5-yl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)benzamide Traditional Name: 3-[(3-anilino-1H-pyrazol-5-yl)methylthio]-N-(3,4,5-trimethoxyphenyl)benzamide Formula: C26H26N4O4S MolecularWeight: 490.57404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)SCC3=CC(=NN3)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC(=CC=C2)SCC3=CC(=NN3)NC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O4S/c1-32-22-13-19(14-23(33-2)25(22)34-3)28-26(31)17-8-7-11-21(12-17)35-16-20-15-24(30-29-20)27-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,28,31)(H2,27,29,30)