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

Systemtic Name: 2,2-dimethylpropyl 2-chloranyl-4-[(1,4-dimethyl-5-oxidanylidene-1,2,4-triazol-3-yl)sulfanyl]benzoate Openeye Name: 2,2-dimethylpropyl 2-chloro-4-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfanyl]benzoate CAS Name: 2-chloro-4-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)thio]benzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-chloro-4-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfanyl]benzoate Traditional Name: 2-chloro-4-[(5-keto-1,4-dimethyl-1,2,4-triazol-3-yl)thio]benzoic acid neopentyl ester Formula: C16H20ClN3O3S MolecularWeight: 369.8663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O3S/c1-16(2,3)9-23-13(21)11-7-6-10(8-12(11)17)24-14-18-20(5)15(22)19(14)4/h6-8H,9H2,1-5H3