ethyl 4-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C)C4=CC=NC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C)C4=CC=NC=C4)C

InChI

InChI=1S/C22H21N5O2S/c1-4-29-21(28)19-14(2)16-7-5-6-8-17(16)24-18(19)13-30-22-26-25-20(27(22)3)15-9-11-23-12-10-15/h5-12H,4,13H2,1-3H3