methyl 4-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NNC(=N3)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C19H16N4O2S2/c1-11-12-6-3-4-7-13(12)20-14(16(11)18(24)25-2)10-27-19-21-17(22-23-19)15-8-5-9-26-15/h3-9H,10H2,1-2H3,(H,21,22,23)