4-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylquinolin-4-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylquinolin-4-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(p-tolylmethyl)-3-[2-(2-thienyl)-4-quinolyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(4-methylphenyl)methyl]-3-(2-thiophen-2-yl-4-quinolinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylquinolin-4-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-methylbenzyl)-3-[2-(2-thienyl)-4-quinolyl]-1H-1,2,4-triazole-5-thione Formula: C23H18N4S2 MolecularWeight: 414.54582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NNC2=S)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H18N4S2/c1-15-8-10-16(11-9-15)14-27-22(25-26-23(27)28)18-13-20(21-7-4-12-29-21)24-19-6-3-2-5-17(18)19/h2-13H,14H2,1H3,(H,26,28)