2-[4-chloranyl-3-ethenyl-3-(4-methylsulfanylphenyl)-7-oxidanyl-1H-furo[3,4-c]pyridin-6-yl]-3-methyl-butanenitrile

Systemtic Name: 2-[4-chloranyl-3-ethenyl-3-(4-methylsulfanylphenyl)-7-oxidanyl-1H-furo[3,4-c]pyridin-6-yl]-3-methyl-butanenitrile Openeye Name: 2-[4-chloro-7-hydroxy-3-(4-methylsulfanylphenyl)-3-vinyl-1H-furo[3,4-c]pyridin-6-yl]-3-methyl-butanenitrile CAS Name: 2-[4-chloro-3-ethenyl-7-hydroxy-3-[4-(methylthio)phenyl]-1H-furo[3,4-c]pyridin-6-yl]-3-methylbutanenitrile IUPAC Name: 2-[4-chloro-3-ethenyl-7-hydroxy-3-(4-methylsulfanylphenyl)-1H-furo[3,4-c]pyridin-6-yl]-3-methylbutanenitrile Traditional Name: 2-[4-chloro-7-hydroxy-3-[4-(methylthio)phenyl]-3-vinyl-1H-furo[3,4-c]pyridin-6-yl]-3-methyl-butyronitrile Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C1=C(C2=C(C(=N1)Cl)C(OC2)(C=C)C3=CC=C(C=C3)SC)O

Isomeric SMILES

CC(C)C(C#N)C1=C(C2=C(C(=N1)Cl)C(OC2)(C=C)C3=CC=C(C=C3)SC)O

InChI

InChI=1S/C21H21ClN2O2S/c1-5-21(13-6-8-14(27-4)9-7-13)17-16(11-26-21)19(25)18(24-20(17)22)15(10-23)12(2)3/h5-9,12,15,25H,1,11H2,2-4H3