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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]ethanamide Openeye Name: 2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-4-pyridylmethyleneamino]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide Traditional Name: 2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-4-pyridylmethyleneamino]acetamide Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=NC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=NC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H19N7OS/c1-16-2-4-19(5-3-16)29-21(18-8-12-24-13-9-18)27-28-22(29)31-15-20(30)26-25-14-17-6-10-23-11-7-17/h2-14H,15H2,1H3,(H,26,30)/b25-14+