5-bromanyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]aniline

Systemtic Name: 5-bromanyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]aniline Openeye Name: 5-bromo-2-[(3-phenylisoxazol-5-yl)methylsulfanyl]aniline CAS Name: 5-bromo-2-[(3-phenyl-5-isoxazolyl)methylthio]aniline IUPAC Name: 5-bromo-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]aniline Traditional Name: [5-bromo-2-[(3-phenylisoxazol-5-yl)methylthio]phenyl]amine Formula: C16H13BrN2OS MolecularWeight: 361.25622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=C(C=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=C(C=C(C=C3)Br)N

InChI

InChI=1S/C16H13BrN2OS/c17-12-6-7-16(14(18)8-12)21-10-13-9-15(19-20-13)11-4-2-1-3-5-11/h1-9H,10,18H2