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

Systemtic Name: 3-[(6-methoxy-2-methyl-quinolin-4-yl)sulfanylmethyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[(6-methoxy-2-methyl-4-quinolyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(6-methoxy-2-methyl-4-quinolinyl)thio]methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[(6-methoxy-2-methylquinolin-4-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[[(6-methoxy-2-methyl-4-quinolyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC3=NNC(=S)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS2/c1-14-10-19(17-11-16(26-2)8-9-18(17)22-14)28-13-20-23-24-21(27)25(20)12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,27)