3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c1-17(2,3)12-6-4-11(5-7-12)14(21)10-23-16-19-18-15(22)20(16)13-8-9-13/h4-7,13H,8-10H2,1-3H3,(H,18,22)