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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C2=NN(C(=C12)C3=CC=CC=C3)C(=O)CC(C)SC4=CC=CC=C4)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C2=NN(C(=C12)C3=CC=CC=C3)C(=O)CC(C)SC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H32N2OS/c1-18(2)23-16-15-19(3)25-26(23)28-29(27(25)21-11-7-5-8-12-21)24(30)17-20(4)31-22-13-9-6-10-14-22/h5-14,18-20,23H,15-17H2,1-4H3/t19-,20?,23+/m1/s1