2-azanyl-3-[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(1-phenyl-5-tetrazolyl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[(1-phenyltetrazol-5-yl)thio]methyl]phenyl]propionic acid Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=CC(=C3)CC(C(=O)O)N

InChI

InChI=1S/C17H17N5O2S/c18-15(16(23)24)10-12-5-4-6-13(9-12)11-25-17-19-20-21-22(17)14-7-2-1-3-8-14/h1-9,15H,10-11,18H2,(H,23,24)