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

Systemtic Name: 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]-4,6-dimethyl-nicotinonitrile Formula: C18H14ClN3OS MolecularWeight: 355.84126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3OS/c1-11-7-12(2)21-18(16(11)9-20)24-10-15-8-17(22-23-15)13-3-5-14(19)6-4-13/h3-8H,10H2,1-2H3