2-[[4-methyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-methyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(benzylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H16N4OS2 MolecularWeight: 308.42234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)CSCC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)CSCC2=CC=CC=C2

InChI

InChI=1S/C13H16N4OS2/c1-17-12(15-16-13(17)20-8-11(14)18)9-19-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,14,18)