2-(oxolan-2-ylmethylsulfanyl)-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide

Systemtic Name: 2-(oxolan-2-ylmethylsulfanyl)-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(tetrahydrofuran-2-ylmethylsulfanyl)benzamide CAS Name: 2-(2-oxolanylmethylthio)-N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(tetrahydrofurfurylthio)benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4SCC5CCCO5

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4SCC5CCCO5

InChI

InChI=1S/C26H29N3O2S/c30-26(21-11-4-5-14-25(21)32-18-20-10-7-15-31-20)28-23-12-6-13-24-22(23)16-27-29(24)17-19-8-2-1-3-9-19/h1-5,8-9,11,14,16,20,23H,6-7,10,12-13,15,17-18H2,(H,28,30)