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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NN=NN2C3=CC=CC=C3

InChI

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