2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-5-phenyl-1,2,3,4-tetrazole

Systemtic Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]-5-phenyl-1,2,3,4-tetrazole Openeye Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-5-phenyl-tetrazole CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-5-phenyltetrazole IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]-5-phenyltetrazole Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]-5-phenyl-tetrazole Formula: C17H24N4 MolecularWeight: 284.39926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N2N=C(N=N2)C3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)N2N=C(N=N2)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C17H24N4/c1-12(2)15-10-9-13(3)11-16(15)21-19-17(18-20-21)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t13-,15+,16-/m0/s1