4-cyclopropyl-3-[2-oxidanyl-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-[2-oxidanyl-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-hydroxy-2-(2,4,6-trimethylphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(2-hydroxy-2-mesityl-ethyl)thio]-1H-1,2,4-triazol-5-one Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(CSC2=NNC(=O)N2C3CC3)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(CSC2=NNC(=O)N2C3CC3)O)C

InChI

InChI=1S/C16H21N3O2S/c1-9-6-10(2)14(11(3)7-9)13(20)8-22-16-18-17-15(21)19(16)12-4-5-12/h6-7,12-13,20H,4-5,8H2,1-3H3,(H,17,21)