5-[9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonylsulfanyl]pentanenitrile

Systemtic Name: 5-[9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonylsulfanyl]pentanenitrile Openeye Name: 5-[9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]nonylsulfanyl]pentanenitrile CAS Name: 5-[9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydro-1-benzothiopyran-4-yl]nonylthio]pentanenitrile IUPAC Name: 5-[9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-2,4-dihydrothiochromen-4-yl]nonylsulfanyl]pentanenitrile Traditional Name: 5-[9-[7-methoxy-3-(4-methoxyphenyl)-3-methyl-thiochroman-4-yl]nonylthio]valeronitrile Formula: C32H45NO2S2 MolecularWeight: 539.8352

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=C(C1CCCCCCCCCSCCCCC#N)C=CC(=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1(CSC2=C(C1CCCCCCCCCSCCCCC#N)C=CC(=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C32H45NO2S2/c1-32(26-15-17-27(34-2)18-16-26)25-37-31-24-28(35-3)19-20-29(31)30(32)14-10-7-5-4-6-8-12-22-36-23-13-9-11-21-33/h15-20,24,30H,4-14,22-23,25H2,1-3H3