4-cyclohexyl-3-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclohexyl-3-[(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclohexyl-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclohexyl-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclohexyl-3-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclohexyl-3-[(2-keto-5-methyl-1,3-dioxol-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=O)O1)CSC2=NNC(=O)N2C3CCCCC3

Isomeric SMILES

CC1=C(OC(=O)O1)CSC2=NNC(=O)N2C3CCCCC3

InChI

InChI=1S/C13H17N3O4S/c1-8-10(20-13(18)19-8)7-21-12-15-14-11(17)16(12)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,14,17)