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

Systemtic Name: 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoic acid Openeye Name: 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoic acid CAS Name: 4-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]thio]benzoic acid IUPAC Name: 4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylbenzoic acid Traditional Name: 4-[[4-(2-imidazolin-2-ylamino)phenyl]thio]benzoic acid Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S/c20-15(21)11-1-5-13(6-2-11)22-14-7-3-12(4-8-14)19-16-17-9-10-18-16/h1-8H,9-10H2,(H,20,21)(H2,17,18,19)