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

Systemtic Name: methyl 2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C28H25N5O4S MolecularWeight: 527.5942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4C(=C3C(=O)OC)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H25N5O4S/c1-35-22-14-13-18(15-23(22)36-2)26-31-32-28(33(26)29)38-16-21-25(27(34)37-3)24(17-9-5-4-6-10-17)19-11-7-8-12-20(19)30-21/h4-15H,16,29H2,1-3H3