methyl 4-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-methyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=NN3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=NN3)C(=O)OC

InChI

InChI=1S/C15H14N4O2S/c1-9-10-5-3-4-6-11(10)18-12(13(9)14(20)21-2)7-22-15-16-8-17-19-15/h3-6,8H,7H2,1-2H3,(H,16,17,19)