4-methyl-3-[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-methyl-3-[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(3-isopropoxyphenyl)-4-quinolyl]-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-methyl-3-[2-(3-propan-2-yloxyphenyl)-4-quinolinyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-methyl-3-[2-(3-propan-2-yloxyphenyl)quinolin-4-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(3-isopropoxyphenyl)-4-quinolyl]-4-methyl-1H-1,2,4-triazole-5-thione Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C4=NNC(=S)N4C

InChI

InChI=1S/C21H20N4OS/c1-13(2)26-15-8-6-7-14(11-15)19-12-17(20-23-24-21(27)25(20)3)16-9-4-5-10-18(16)22-19/h4-13H,1-3H3,(H,24,27)