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

Systemtic Name: propan-2-yl 4-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3S/c1-13(2)27-18(26)14-8-10-15(11-9-14)20-17(25)12-28-19-21-22-23-24(19)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,20,25)