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

Systemtic Name: N-pyridin-3-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-pyridyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-pyridinyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-pyridin-3-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-pyridyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C14H12N6OS MolecularWeight: 312.34968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CN=C1)NC(=O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C14H12N6OS/c21-12(17-11-2-1-5-16-8-11)9-22-14-18-13(19-20-14)10-3-6-15-7-4-10/h1-8H,9H2,(H,17,21)(H,18,19,20)