3-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoylamino]benzoic acid

Systemtic Name: 3-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoylamino]benzoic acid Openeye Name: 3-[2-(1-phenyltetrazol-5-yl)sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-(1-phenyltetrazol-5-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[(1-phenyltetrazol-5-yl)thio]butanoylamino]benzoic acid Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O3S/c1-2-15(16(24)19-13-8-6-7-12(11-13)17(25)26)27-18-20-21-22-23(18)14-9-4-3-5-10-14/h3-11,15H,2H2,1H3,(H,19,24)(H,25,26)