2,2-dimethylpropyl 2-chloranyl-4-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]benzoate

Systemtic Name: 2,2-dimethylpropyl 2-chloranyl-4-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]benzoate Openeye Name: 2,2-dimethylpropyl 2-chloro-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzoate CAS Name: 2-chloro-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]benzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-chloro-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzoate Traditional Name: 2-chloro-4-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)thio]benzoic acid neopentyl ester Formula: C15H18ClN3O3S MolecularWeight: 355.83972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C1=C(C=C(C=C1)SC2=NNC(=O)N2C)Cl

Isomeric SMILES

CC(C)(C)COC(=O)C1=C(C=C(C=C1)SC2=NNC(=O)N2C)Cl

InChI

InChI=1S/C15H18ClN3O3S/c1-15(2,3)8-22-12(20)10-6-5-9(7-11(10)16)23-14-18-17-13(21)19(14)4/h5-7H,8H2,1-4H3,(H,17,21)