5-[6-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-yl]-4-phenethyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[6-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-yl]-4-phenethyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[2-(4-isopropoxyphenyl)-6-methyl-4-quinolyl]-4-phenethyl-1,2,4-triazole-3-thiolate CAS Name: 5-[6-methyl-2-(4-propan-2-yloxyphenyl)-4-quinolinyl]-4-phenethyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[6-methyl-2-(4-propan-2-yloxyphenyl)quinolin-4-yl]-4-phenethyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[2-(4-isopropoxyphenyl)-6-methyl-4-quinolyl]-4-phenethyl-1,2,4-triazole-3-thiolate Formula: C29H27N4OS- MolecularWeight: 479.61588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C3=NN=C(N3CCC4=CC=CC=C4)[S-])C5=CC=C(C=C5)OC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C3=NN=C(N3CCC4=CC=CC=C4)[S-])C5=CC=C(C=C5)OC(C)C

InChI

InChI=1S/C29H28N4OS/c1-19(2)34-23-12-10-22(11-13-23)27-18-25(24-17-20(3)9-14-26(24)30-27)28-31-32-29(35)33(28)16-15-21-7-5-4-6-8-21/h4-14,17-19H,15-16H2,1-3H3,(H,32,35)/p-1