N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanyl-propanamide CAS Name: N-[1-(phenylmethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(phenylthio)propanamide IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(phenylthio)propionamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)CCSC4=CC=CC=C4

Isomeric SMILES

C1CC(C2=C(C1)N(N=C2)CC3=CC=CC=C3)NC(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c27-23(14-15-28-19-10-5-2-6-11-19)25-21-12-7-13-22-20(21)16-24-26(22)17-18-8-3-1-4-9-18/h1-6,8-11,16,21H,7,12-15,17H2,(H,25,27)