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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-2-pyridylmethyleneamino]acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-2-pyridinylmethylideneamino]acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-[(E)-2-pyridylmethyleneamino]acetamide Formula: C22H17ClN6OS MolecularWeight: 448.92798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N/N=C/C4=CC=CC=N4

InChI

InChI=1S/C22H17ClN6OS/c23-17-9-11-19(12-10-17)29-21(16-6-2-1-3-7-16)27-28-22(29)31-15-20(30)26-25-14-18-8-4-5-13-24-18/h1-14H,15H2,(H,26,30)/b25-14+