4-cyclohexyl-5-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclohexyl-5-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclohexyl-5-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclohexyl-5-phenyl-2-[[(3R)-3-phenyl-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclohexyl-5-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclohexyl-5-phenyl-2-[[(3R)-3-phenylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C25H31N4S+ MolecularWeight: 419.60544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CCC(C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN(C2=S)C[NH+]3CC[C@@H](C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4S/c30-25-28(19-27-17-16-22(18-27)20-10-4-1-5-11-20)26-24(21-12-6-2-7-13-21)29(25)23-14-8-3-9-15-23/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2/p+1/t22-/m0/s1