4-[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate

Systemtic Name: 4-[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]benzoate Openeye Name: 4-[5-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyltetrazol-1-yl]benzoate CAS Name: 4-[5-[[2-(tert-butylamino)-2-oxoethyl]thio]-1-tetrazolyl]benzoate IUPAC Name: 4-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate Traditional Name: 4-[5-[[2-(tert-butylamino)-2-keto-ethyl]thio]tetrazol-1-yl]benzoate Formula: C14H16N5O3S- MolecularWeight: 334.37354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H17N5O3S/c1-14(2,3)15-11(20)8-23-13-16-17-18-19(13)10-6-4-9(5-7-10)12(21)22/h4-7H,8H2,1-3H3,(H,15,20)(H,21,22)/p-1