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

Systemtic Name: methyl 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=CN3C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=CN3C)C(=O)OC

InChI

InChI=1S/C16H16N4O2S/c1-10-11-6-4-5-7-12(11)18-13(14(10)15(21)22-3)8-23-16-19-17-9-20(16)2/h4-7,9H,8H2,1-3H3