propan-2-yl 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C18H17BrN4O2S MolecularWeight: 433.32218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C18H17BrN4O2S/c1-12(2)25-16(24)11-26-18-22-21-17(13-4-3-9-20-10-13)23(18)15-7-5-14(19)6-8-15/h3-10,12H,11H2,1-2H3