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

Systemtic Name: methyl 2-[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoylamino]benzoate Openeye Name: methyl 2-[3-(1-phenyltetrazol-5-yl)sulfanylpropanoylamino]benzoate CAS Name: 2-[[1-oxo-3-[(1-phenyl-5-tetrazolyl)thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(1-phenyltetrazol-5-yl)sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[(1-phenyltetrazol-5-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-26-17(25)14-9-5-6-10-15(14)19-16(24)11-12-27-18-20-21-22-23(18)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,24)