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

Systemtic Name: phenacyl 4-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: phenacyl 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methyltetrazol-5-yl)thio]acetyl]amino]benzoic acid phenacyl ester Formula: C19H17N5O4S MolecularWeight: 411.43438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17N5O4S/c1-24-19(21-22-23-24)29-12-17(26)20-15-9-7-14(8-10-15)18(27)28-11-16(25)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,26)