2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]-4,5,6-trimethyl-nicotinonitrile Formula: C19H16ClN3OS MolecularWeight: 369.86784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H16ClN3OS/c1-11-12(2)17(9-21)19(22-13(11)3)25-10-16-8-18(23-24-16)14-4-6-15(20)7-5-14/h4-8H,10H2,1-3H3