3-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1,2-oxazol-5-amine

Systemtic Name: 3-[5-chloranyl-2-(phenylmethylsulfanyl)phenyl]-1,2-oxazol-5-amine Openeye Name: 3-(2-benzylsulfanyl-5-chloro-phenyl)isoxazol-5-amine CAS Name: 3-[5-chloro-2-(phenylmethylthio)phenyl]-5-isoxazolamine IUPAC Name: 3-(2-benzylsulfanyl-5-chlorophenyl)-1,2-oxazol-5-amine Traditional Name: [3-[2-(benzylthio)-5-chloro-phenyl]isoxazol-5-yl]amine Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=NOC(=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)Cl)C3=NOC(=C3)N

InChI

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