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

Systemtic Name: 4-ethyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzylsulfanyl-4-ethyl-1H-1,2,4-triazol-5-one CAS Name: 4-ethyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-4-ethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(benzylthio)-4-ethyl-1H-1,2,4-triazol-5-one Formula: C11H13N3OS MolecularWeight: 235.30542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)NN=C1SCC2=CC=CC=C2

Isomeric SMILES

CCN1C(=O)NN=C1SCC2=CC=CC=C2

InChI

InChI=1S/C11H13N3OS/c1-2-14-10(15)12-13-11(14)16-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,15)