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

Systemtic Name: 3-[(1R,2R,3R)-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1H-indole Openeye Name: 3-[(1R,2R,3R)-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinyl-cyclohexyl]-1H-indole CAS Name: 3-[(1R,2R,3R)-3-ethenyl-2-isothiocyanato-3-methyl-6-(1-methylethenyl)cyclohexyl]-1H-indole IUPAC Name: 3-[(1R,2R,3R)-3-ethenyl-2-isothiocyanato-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole Traditional Name: 3-[(1R,2R,3R)-6-isopropenyl-2-isothiocyanato-3-methyl-3-vinyl-cyclohexyl]-1H-indole Formula: C21H24N2S MolecularWeight: 336.49366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(C(C1C2=CNC3=CC=CC=C32)N=C=S)(C)C=C

Isomeric SMILES

CC(=C)C1CC[C@]([C@@H]([C@H]1C2=CNC3=CC=CC=C32)N=C=S)(C)C=C

InChI

InChI=1S/C21H24N2S/c1-5-21(4)11-10-15(14(2)3)19(20(21)23-13-24)17-12-22-18-9-7-6-8-16(17)18/h5-9,12,15,19-20,22H,1-2,10-11H2,3-4H3/t15?,19-,20-,21+/m1/s1