(2R)-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]-2-phenylsulfanyl-butan-1-one

Systemtic Name: (2R)-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]-2-phenylsulfanyl-butan-1-one Openeye Name: (2R)-1-[(4R,7S)-7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydroindazol-2-yl]-2-phenylsulfanyl-butan-1-one CAS Name: (2R)-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]-2-(phenylthio)-1-butanone IUPAC Name: (2R)-1-[(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-2-yl]-2-phenylsulfanylbutan-1-one Traditional Name: (2R)-1-[(4R,7S)-7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydroindazol-2-yl]-2-(phenylthio)butan-1-one Formula: C27H32N2OS MolecularWeight: 432.62078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C(=C2C(CCC(C2=N1)C(C)C)C)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC[C@H](C(=O)N1C(=C2[C@@H](CC[C@H](C2=N1)C(C)C)C)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H32N2OS/c1-5-23(31-21-14-10-7-11-15-21)27(30)29-26(20-12-8-6-9-13-20)24-19(4)16-17-22(18(2)3)25(24)28-29/h6-15,18-19,22-23H,5,16-17H2,1-4H3/t19-,22+,23-/m1/s1