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

Systemtic Name: methyl 4-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-phenyl-2-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C28H25N5O2S MolecularWeight: 495.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H25N5O2S/c1-3-17-33-26(20-13-15-29-16-14-20)31-32-28(33)36-18-23-25(27(34)35-2)24(19-9-5-4-6-10-19)21-11-7-8-12-22(21)30-23/h4-16H,3,17-18H2,1-2H3