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

Systemtic Name: 4-methyl-3-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[(1-phenyltetrazol-5-yl)thio]acetyl]amino]benzoic acid Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3S/c1-11-7-8-12(16(24)25)9-14(11)18-15(23)10-26-17-19-20-21-22(17)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,23)(H,24,25)