N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C14H11ClN6OS MolecularWeight: 346.79474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C14H11ClN6OS/c15-10-2-3-12(21-9-16-8-19-21)11(6-10)20-13(22)7-23-14-17-4-1-5-18-14/h1-6,8-9H,7H2,(H,20,22)