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

Systemtic Name: 3-methylsulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one Openeye Name: 2-isopropyl-3-methylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-(methylthio)-2-propan-2-yl-1H-1,2,4-triazol-5-one IUPAC Name: 3-methylsulfanyl-2-propan-2-yl-1H-1,2,4-triazol-5-one Traditional Name: 2-isopropyl-3-(methylthio)-1H-1,2,4-triazol-5-one Formula: C6H11N3OS MolecularWeight: 173.23604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H11N3OS/c1-4(2)9-6(11-3)7-5(10)8-9/h4H,1-3H3,(H,8,10)