3-chloranyl-4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]aniline

Systemtic Name: 3-chloranyl-4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]aniline Openeye Name: 3-chloro-4-[(5-phenylisoxazol-3-yl)methylsulfanyl]aniline CAS Name: 3-chloro-4-[(5-phenyl-3-isoxazolyl)methylthio]aniline IUPAC Name: 3-chloro-4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]aniline Traditional Name: [3-chloro-4-[(5-phenylisoxazol-3-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=CC(=NO2)CSC3=C(C=C(C=C3)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=C(C=C(C=C3)N)Cl

InChI

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