N-[2,5-bis(chloranyl)phenyl]-2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2,5-dichlorophenyl)acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2,5-dichlorophenyl)acetamide Formula: C21H14BrCl2N5OS MolecularWeight: 535.24376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NC4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H14BrCl2N5OS/c22-14-3-6-16(7-4-14)29-20(13-2-1-9-25-11-13)27-28-21(29)31-12-19(30)26-18-10-15(23)5-8-17(18)24/h1-11H,12H2,(H,26,30)