5-[3-[5-(3-chloranyl-4-ethylsulfanyl-phenyl)-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]pentanenitrile

Systemtic Name: 5-[3-[5-(3-chloranyl-4-ethylsulfanyl-phenyl)-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]pentanenitrile Openeye Name: 5-[3-[5-(3-chloro-4-ethylsulfanyl-phenyl)-1-methyl-4-oxo-3-pyridyl]phenyl]pentanenitrile CAS Name: 5-[3-[5-[3-chloro-4-(ethylthio)phenyl]-1-methyl-4-oxo-3-pyridinyl]phenyl]pentanenitrile IUPAC Name: 5-[3-[5-(3-chloro-4-ethylsulfanylphenyl)-1-methyl-4-oxopyridin-3-yl]phenyl]pentanenitrile Traditional Name: 5-[3-[5-[3-chloro-4-(ethylthio)phenyl]-4-keto-1-methyl-3-pyridyl]phenyl]valeronitrile Formula: C25H25ClN2OS MolecularWeight: 436.9968

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)CCCCC#N)C)Cl

Isomeric SMILES

CCSC1=C(C=C(C=C1)C2=CN(C=C(C2=O)C3=CC(=CC=C3)CCCCC#N)C)Cl

InChI

InChI=1S/C25H25ClN2OS/c1-3-30-24-12-11-20(15-23(24)26)22-17-28(2)16-21(25(22)29)19-10-7-9-18(14-19)8-5-4-6-13-27/h7,9-12,14-17H,3-6,8H2,1-2H3