5-[(4-cyclohexylphenoxy)methyl]-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-2-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C27H34N4O2S MolecularWeight: 478.64946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCCC3=C2C=CC(=C3)OC)COC4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCCC3=C2C=CC(=C3)OC)COC4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C27H34N4O2S/c1-29-26(18-33-23-12-10-21(11-13-23)20-7-4-3-5-8-20)28-31(27(29)34)19-30-16-6-9-22-17-24(32-2)14-15-25(22)30/h10-15,17,20H,3-9,16,18-19H2,1-2H3