2-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenoxy]ethanoic acid Openeye Name: 2-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenoxy]acetic acid CAS Name: 2-[4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]thio]phenoxy]acetic acid IUPAC Name: 2-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]phenoxy]acetic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C17H17N3O3S/c21-16(22)11-23-13-3-7-15(8-4-13)24-14-5-1-12(2-6-14)20-17-18-9-10-19-17/h1-8H,9-11H2,(H,21,22)(H2,18,19,20)