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

Systemtic Name: ethyl 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H20BrN5O2S MolecularWeight: 498.3955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3N)C4=CC=CC=C4Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3N)C4=CC=CC=C4Br)C

InChI

InChI=1S/C22H20BrN5O2S/c1-3-30-21(29)19-13(2)14-8-5-7-11-17(14)25-18(19)12-31-22-27-26-20(28(22)24)15-9-4-6-10-16(15)23/h4-11H,3,12,24H2,1-2H3