2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(phenylmethylidene)amino]ethanamide

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(phenylmethylidene)amino]ethanamide Openeye Name: N-(benzylideneamino)-2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[(phenylmethylene)amino]acetamide IUPAC Name: N-(benzylideneamino)-2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(benzalamino)-2-[[4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H17BrN6OS MolecularWeight: 493.37898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C22H17BrN6OS/c23-18-8-10-19(11-9-18)29-21(17-7-4-12-24-14-17)27-28-22(29)31-15-20(30)26-25-13-16-5-2-1-3-6-16/h1-14H,15H2,(H,26,30)