4-[2-[2-(2-azanylimidazol-1-yl)ethyl]phenyl]sulfanylphenol

Systemtic Name: 4-[2-[2-(2-azanylimidazol-1-yl)ethyl]phenyl]sulfanylphenol Openeye Name: 4-[2-[2-(2-aminoimidazol-1-yl)ethyl]phenyl]sulfanylphenol CAS Name: 4-[[2-[2-(2-amino-1-imidazolyl)ethyl]phenyl]thio]phenol IUPAC Name: 4-[2-[2-(2-aminoimidazol-1-yl)ethyl]phenyl]sulfanylphenol Traditional Name: 4-[[2-[2-(2-aminoimidazol-1-yl)ethyl]phenyl]thio]phenol Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCN2C=CN=C2N)SC3=CC=C(C=C3)O

Isomeric SMILES

C1=CC=C(C(=C1)CCN2C=CN=C2N)SC3=CC=C(C=C3)O

InChI

InChI=1S/C17H17N3OS/c18-17-19-10-12-20(17)11-9-13-3-1-2-4-16(13)22-15-7-5-14(21)6-8-15/h1-8,10,12,21H,9,11H2,(H2,18,19)