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

Systemtic Name: 3-(phenylmethylsulfanyl)-2-propan-2-yl-1H-1,2,4-triazol-5-one Openeye Name: 3-benzylsulfanyl-2-isopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-(phenylmethylthio)-2-propan-2-yl-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one Traditional Name: 3-(benzylthio)-2-isopropyl-1H-1,2,4-triazol-5-one Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC(=O)N1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)N1C(=NC(=O)N1)SCC2=CC=CC=C2

InChI

InChI=1S/C12H15N3OS/c1-9(2)15-12(13-11(16)14-15)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,16)