5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(4-methylphenyl)-4-quinolinyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(4-methylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazole-3-thiolate Formula: C21H17N4S- MolecularWeight: 357.45148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)[S-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)[S-]

InChI

InChI=1S/C21H18N4S/c1-3-12-25-20(23-24-21(25)26)17-13-19(15-10-8-14(2)9-11-15)22-18-7-5-4-6-16(17)18/h3-11,13H,1,12H2,2H3,(H,24,26)/p-1