4-[5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]-5-methyl-4H-isoxazol-3-yl]benzonitrile CAS Name: 4-[5-[2-(4-chlorophenyl)-4-methyl-5-thiazolyl]-5-methyl-4H-isoxazol-3-yl]benzonitrile IUPAC Name: 4-[5-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-5-methyl-4H-1,2-oxazol-3-yl]benzonitrile Traditional Name: 4-[5-[2-(4-chlorophenyl)-4-methyl-thiazol-5-yl]-5-methyl-2-isoxazolin-3-yl]benzonitrile Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3(CC(=NO3)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3(CC(=NO3)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C21H16ClN3OS/c1-13-19(27-20(24-13)16-7-9-17(22)10-8-16)21(2)11-18(25-26-21)15-5-3-14(12-23)4-6-15/h3-10H,11H2,1-2H3