butyl 4-[2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-ethyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-ethyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-ethyltetrazol-5-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2CC

InChI

InChI=1S/C16H21N5O3S/c1-3-5-10-24-15(23)12-6-8-13(9-7-12)17-14(22)11-25-16-18-19-20-21(16)4-2/h6-9H,3-5,10-11H2,1-2H3,(H,17,22)