3-[2-[9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonylsulfinyl]ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-[9-[3-(4-hydroxyphenyl)-3-methyl-7-oxidanyl-2,4-dihydrothiochromen-4-yl]nonylsulfinyl]ethyl]benzenecarbonitrile Openeye Name: 3-[2-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonylsulfinyl]ethyl]benzonitrile CAS Name: 3-[2-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonylsulfinyl]ethyl]benzonitrile IUPAC Name: 3-[2-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonylsulfinyl]ethyl]benzonitrile Traditional Name: 3-[2-[9-[7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-thiochroman-4-yl]nonylsulfinyl]ethyl]benzonitrile Formula: C34H41NO3S2 MolecularWeight: 575.82424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCS(=O)CCC3=CC=CC(=C3)C#N)C=CC(=C2)O)C4=CC=C(C=C4)O

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCS(=O)CCC3=CC=CC(=C3)C#N)C=CC(=C2)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C34H41NO3S2/c1-34(28-13-15-29(36)16-14-28)25-39-33-23-30(37)17-18-31(33)32(34)12-7-5-3-2-4-6-8-20-40(38)21-19-26-10-9-11-27(22-26)24-35/h9-11,13-18,22-23,32,36-37H,2-8,12,19-21,25H2,1H3