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

Systemtic Name: 2-diethylaminoethyl 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C22H26N6O3S/c1-3-27(4-2)14-15-31-21(30)17-10-12-18(13-11-17)23-20(29)16-32-22-24-25-26-28(22)19-8-6-5-7-9-19/h5-13H,3-4,14-16H2,1-2H3,(H,23,29)