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

Systemtic Name: 5-(phenylmethylsulfanyl)-1,2-dihydro-1,2,4-triazol-3-one Openeye Name: 5-benzylsulfanyl-1,2-dihydro-1,2,4-triazol-3-one CAS Name: 5-(phenylmethylthio)-1,2-dihydro-1,2,4-triazol-3-one IUPAC Name: 5-benzylsulfanyl-1,2-dihydro-1,2,4-triazol-3-one Traditional Name: 5-(benzylthio)-1,2-dihydro-1,2,4-triazol-3-one Formula: C9H9N3OS MolecularWeight: 207.25226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)NN2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)NN2

InChI

InChI=1S/C9H9N3OS/c13-8-10-9(12-11-8)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11,12,13)