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

Systemtic Name: methyl 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NNC(=N3)N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NNC(=N3)N)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O2S/c1-27-18(26)17-15(11-28-20-23-19(21)24-25-20)22-14-10-6-5-9-13(14)16(17)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H3,21,23,24,25)