2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-phenyl-5-[(2-pyrimidinylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenyl-5-[(2-pyrimidylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C15H14N6OS2 MolecularWeight: 358.44126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CSC3=NC=CC=N3

InChI

InChI=1S/C15H14N6OS2/c16-12(22)9-24-15-20-19-13(10-23-14-17-7-4-8-18-14)21(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H2,16,22)