3,3-dimethyl-1-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 3,3-dimethyl-1-[2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 3,3-dimethyl-1-[2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)pyrrolidino]pentane-1,2-dione Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C2=NC(=S)NN2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C2=NC(=S)NN2

InChI

InChI=1S/C13H20N4O2S/c1-4-13(2,3)9(18)11(19)17-7-5-6-8(17)10-14-12(20)16-15-10/h8H,4-7H2,1-3H3,(H2,14,15,16,20)