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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylate IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]quinoline-3-carboxylate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=NC3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCC2=NC3=CC=CC=C3C=C2C(=O)[O-]

InChI

InChI=1S/C14H12N4O2S/c1-18-8-15-17-14(18)21-7-12-10(13(19)20)6-9-4-2-3-5-11(9)16-12/h2-6,8H,7H2,1H3,(H,19,20)/p-1