N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylsulfanyl-propanamide Openeye Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylsulfanyl-propanamide CAS Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(methylthio)propanamide IUPAC Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylsulfanylpropanamide Traditional Name: N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(methylthio)propionamide Formula: C21H29N3OS MolecularWeight: 371.53946

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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)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3OS/c1-21(2,3)15-8-10-16(11-9-15)24-19-7-5-6-18(17(19)14-22-24)23-20(25)12-13-26-4/h8-11,14,18H,5-7,12-13H2,1-4H3,(H,23,25)/t18-/m0/s1