4-methyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-methyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzylsulfanyl-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 4-methyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(benzylthio)-4-methyl-1H-1,2,4-triazol-5-one Formula: C10H11N3OS MolecularWeight: 221.27884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SCC2=CC=CC=C2

Isomeric SMILES

CN1C(=O)NN=C1SCC2=CC=CC=C2

InChI

InChI=1S/C10H11N3OS/c1-13-9(14)11-12-10(13)15-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,14)