2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-pyrimidin-2-yl-ethanamide Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-pyrimidin-2-yl-acetamide CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(2-pyrimidinyl)acetamide IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-N-pyrimidin-2-ylacetamide Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-N-(2-pyrimidyl)acetamide Formula: C14H13N6OS+ MolecularWeight: 313.35762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(N=CN2)SCC(=O)NC3=NC=CC=N3

InChI

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