methyl 4-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 4-phenyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]quinoline-3-carboxylic acid methyl ester Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=NN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=NN3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O2S/c1-26-19(25)18-16(11-27-20-21-12-22-24-20)23-15-10-6-5-9-14(15)17(18)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,22,24)