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

Systemtic Name: 3-chloranyl-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]aniline Openeye Name: 3-chloro-2-[(3-phenylisoxazol-5-yl)methylsulfanyl]aniline CAS Name: 3-chloro-2-[(3-phenyl-5-isoxazolyl)methylthio]aniline IUPAC Name: 3-chloro-2-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]aniline Traditional Name: [3-chloro-2-[(3-phenylisoxazol-5-yl)methylthio]phenyl]amine Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=C(C=CC=C3Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)CSC3=C(C=CC=C3Cl)N

InChI

InChI=1S/C16H13ClN2OS/c17-13-7-4-8-14(18)16(13)21-10-12-9-15(19-20-12)11-5-2-1-3-6-11/h1-9H,10,18H2