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

Systemtic Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]ethanamide Openeye Name: 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-4-pyridylmethyleneamino]acetamide CAS Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide IUPAC Name: 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide Traditional Name: 2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-4-pyridylmethyleneamino]acetamide Formula: C21H17N7OS MolecularWeight: 415.47098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N7OS/c29-19(25-24-14-16-6-10-22-11-7-16)15-30-21-27-26-20(17-8-12-23-13-9-17)28(21)18-4-2-1-3-5-18/h1-14H,15H2,(H,25,29)/b24-14+