5-(4-chlorophenyl)-3-methylsulfanyl-1,2-oxazole-4-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)-3-methylsulfanyl-1,2-oxazole-4-carbonitrile Openeye Name: 5-(4-chlorophenyl)-3-methylsulfanyl-isoxazole-4-carbonitrile CAS Name: 5-(4-chlorophenyl)-3-(methylthio)-4-isoxazolecarbonitrile IUPAC Name: 5-(4-chlorophenyl)-3-methylsulfanyl-1,2-oxazole-4-carbonitrile Traditional Name: 5-(4-chlorophenyl)-3-(methylthio)isoxazole-4-carbonitrile Formula: C11H7ClN2OS MolecularWeight: 250.70408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NOC(=C1C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=NOC(=C1C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H7ClN2OS/c1-16-11-9(6-13)10(15-14-11)7-2-4-8(12)5-3-7/h2-5H,1H3