N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-ethanamide Openeye Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanyl-acetamide CAS Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(methylthio)acetamide IUPAC Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylsulfanylacetamide Traditional Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(methylthio)acetamide Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CSC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)[C@H](CCC3)NC(=O)CSC

InChI

InChI=1S/C20H27N3OS/c1-20(2,3)14-8-10-15(11-9-14)23-18-7-5-6-17(16(18)12-21-23)22-19(24)13-25-4/h8-12,17H,5-7,13H2,1-4H3,(H,22,24)/t17-/m0/s1