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

Systemtic Name: ethyl 4-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=CN3C(C)C)C

InChI

InChI=1S/C19H22N4O2S/c1-5-25-18(24)17-13(4)14-8-6-7-9-15(14)21-16(17)10-26-19-22-20-11-23(19)12(2)3/h6-9,11-12H,5,10H2,1-4H3