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

Systemtic Name: methyl 4-methyl-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

InChI

InChI=1S/C18H20N4O3S/c1-4-9-22-17(24)20-21-18(22)26-10-14-15(16(23)25-3)11(2)12-7-5-6-8-13(12)19-14/h5-8H,4,9-10H2,1-3H3,(H,20,24)