3-[2-[[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]methylsulfinyl]ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-[[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]methylsulfinyl]ethyl]benzenecarbonitrile Openeye Name: 3-[2-[[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]methylsulfinyl]ethyl]benzonitrile CAS Name: 3-[2-[[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]methylsulfinyl]ethyl]benzonitrile IUPAC Name: 3-[2-[[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]methylsulfinyl]ethyl]benzonitrile Traditional Name: 3-[2-[[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]methylsulfinyl]ethyl]benzonitrile Formula: C26H25NO3S2 MolecularWeight: 463.6116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CS(=O)CCC3=CC=CC(=C3)C#N)C=CC(=C2)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1(CSC2=C(C1CS(=O)CCC3=CC=CC(=C3)C#N)C=CC(=C2)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C26H25NO3S2/c1-26(20-5-7-21(28)8-6-20)17-31-25-14-22(29)9-10-23(25)24(26)16-32(30)12-11-18-3-2-4-19(13-18)15-27/h2-10,13-14,24,28-29H,11-12,16-17H2,1H3