2-butan-2-yl-3-methylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 2-butan-2-yl-3-methylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-methylsulfanyl-2-sec-butyl-1H-1,2,4-triazol-5-one CAS Name: 2-butan-2-yl-3-(methylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 2-butan-2-yl-3-methylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(methylthio)-2-sec-butyl-1H-1,2,4-triazol-5-one Formula: C7H13N3OS MolecularWeight: 187.26262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NC(=O)N1)SC

Isomeric SMILES

CCC(C)N1C(=NC(=O)N1)SC

InChI

InChI=1S/C7H13N3OS/c1-4-5(2)10-7(12-3)8-6(11)9-10/h5H,4H2,1-3H3,(H,9,11)