6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-5,6-dihydro-4H-benzo[a]phenalene-1-carbonitrile

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-5,6-dihydro-4H-benzo[a]phenalene-1-carbonitrile Openeye Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-5,6-dihydro-4H-benzo[a]phenalene-1-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-(methylthio)-5,6-dihydro-4H-benzo[a]phenalene-1-carbonitrile IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-methylsulfanyl-5,6-dihydro-4H-benzo[a]phenalene-1-carbonitrile Traditional Name: 6-(3,4-dimethoxyphenyl)-2-(methylthio)-5,6-dihydro-4H-benzo[a]phenalene-1-carbonitrile Formula: C27H23NO2S MolecularWeight: 425.54202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC3=CC(=C(C4=C3C2=CC5=CC=CC=C54)C#N)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCC3=CC(=C(C4=C3C2=CC5=CC=CC=C54)C#N)SC)OC

InChI

InChI=1S/C27H23NO2S/c1-29-23-11-9-17(13-24(23)30-2)19-10-8-18-14-25(31-3)22(15-28)27-20-7-5-4-6-16(20)12-21(19)26(18)27/h4-7,9,11-14,19H,8,10H2,1-3H3