3-[(1S,2R,3S,4R,6S)-4-chloranyl-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1H-indole

Systemtic Name: 3-[(1S,2R,3S,4R,6S)-4-chloranyl-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1H-indole Openeye Name: 3-[(1S,2R,3S,4R,6S)-4-chloro-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinyl-cyclohexyl]-1H-indole CAS Name: 3-[(1S,2R,3S,4R,6S)-4-chloro-3-ethenyl-2-isothiocyanato-3-methyl-6-(1-methylethenyl)cyclohexyl]-1H-indole IUPAC Name: 3-[(1S,2R,3S,4R,6S)-4-chloro-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole Traditional Name: 3-[(1S,2R,3S,4R,6S)-4-chloro-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinyl-cyclohexyl]-1H-indole Formula: C21H23ClN2S MolecularWeight: 370.93872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CC(C(C(C1C2=CNC3=CC=CC=C32)N=C=S)(C)C=C)Cl

Isomeric SMILES

CC(=C)[C@H]1C[C@H]([C@@]([C@@H]([C@@H]1C2=CNC3=CC=CC=C32)N=C=S)(C)C=C)Cl

InChI

InChI=1S/C21H23ClN2S/c1-5-21(4)18(22)10-15(13(2)3)19(20(21)24-12-25)16-11-23-17-9-7-6-8-14(16)17/h5-9,11,15,18-20,23H,1-2,10H2,3-4H3/t15-,18-,19+,20-,21-/m1/s1