4-butyl-3-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[3-(2-tert-butylphenoxy)-2-hydroxypropyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]thio]-1H-1,2,4-triazol-5-one Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(COC2=CC=CC=C2C(C)(C)C)O

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(COC2=CC=CC=C2C(C)(C)C)O

InChI

InChI=1S/C19H29N3O3S/c1-5-6-11-22-17(24)20-21-18(22)26-13-14(23)12-25-16-10-8-7-9-15(16)19(2,3)4/h7-10,14,23H,5-6,11-13H2,1-4H3,(H,20,24)