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

Systemtic Name: butyl 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S/c1-2-3-13-28-19(27)15-9-11-16(12-10-15)21-18(26)14-29-20-22-23-24-25(20)17-7-5-4-6-8-17/h4-12H,2-3,13-14H2,1H3,(H,21,26)