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

Systemtic Name: 5-[2-(4-ethylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Openeye Name: 4-allyl-5-[2-(4-ethylphenyl)-4-quinolyl]-1,2,4-triazole-3-thiolate CAS Name: 5-[2-(4-ethylphenyl)-4-quinolinyl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[2-(4-ethylphenyl)quinolin-4-yl]-4-prop-2-enyl-1,2,4-triazole-3-thiolate Traditional Name: 4-allyl-5-[2-(4-ethylphenyl)-4-quinolyl]-1,2,4-triazole-3-thiolate Formula: C22H19N4S- MolecularWeight: 371.47806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)[S-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4CC=C)[S-]

InChI

InChI=1S/C22H20N4S/c1-3-13-26-21(24-25-22(26)27)18-14-20(16-11-9-15(4-2)10-12-16)23-19-8-6-5-7-17(18)19/h3,5-12,14H,1,4,13H2,2H3,(H,25,27)/p-1