4-methyl-2-(3-methyl-3-oxidanyl-nonyl)-5-sulfanylidene-1,2,4-triazolidin-3-one

Systemtic Name: 4-methyl-2-(3-methyl-3-oxidanyl-nonyl)-5-sulfanylidene-1,2,4-triazolidin-3-one Openeye Name: 2-(3-hydroxy-3-methyl-nonyl)-4-methyl-5-thioxo-1,2,4-triazolidin-3-one CAS Name: 2-(3-hydroxy-3-methylnonyl)-4-methyl-5-sulfanylidene-1,2,4-triazolidin-3-one IUPAC Name: 2-(3-hydroxy-3-methylnonyl)-4-methyl-5-sulfanylidene-1,2,4-triazolidin-3-one Traditional Name: 2-(3-hydroxy-3-methyl-nonyl)-4-methyl-5-thioxo-1,2,4-triazolidin-3-one Formula: C13H25N3O2S MolecularWeight: 287.4215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CCN1C(=O)N(C(=S)N1)C)O

Isomeric SMILES

CCCCCCC(C)(CCN1C(=O)N(C(=S)N1)C)O

InChI

InChI=1S/C13H25N3O2S/c1-4-5-6-7-8-13(2,18)9-10-16-12(17)15(3)11(19)14-16/h18H,4-10H2,1-3H3,(H,14,19)