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

Systemtic Name: methyl 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H23N5O2S/c1-35-27(34)25-23(30-22-10-6-5-9-21(22)24(25)18-7-3-2-4-8-18)17-36-28-32-31-26(33(28)20-11-12-20)19-13-15-29-16-14-19/h2-10,13-16,20H,11-12,17H2,1H3