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

Systemtic Name: methyl 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COCCN1C=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c1-29-13-12-27-15-24-26-23(27)31-14-19-21(22(28)30-2)20(16-8-4-3-5-9-16)17-10-6-7-11-18(17)25-19/h3-11,15H,12-14H2,1-2H3