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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-pyridyl)ethylideneamino]acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-1-(4-pyridyl)ethylideneamino]acetamide Formula: C23H19BrN6OS MolecularWeight: 507.40556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C/C(=N\NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=CC=C3)/C4=CC=NC=C4

InChI

InChI=1S/C23H19BrN6OS/c1-16(17-11-13-25-14-12-17)26-27-21(31)15-32-23-29-28-22(18-5-3-2-4-6-18)30(23)20-9-7-19(24)8-10-20/h2-14H,15H2,1H3,(H,27,31)/b26-16+