2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-7-oxidanyl-hept-4-ynenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-7-oxidanyl-hept-4-ynenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-2-(p-tolylsulfanyl)hept-4-ynenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-2-[(4-methylphenyl)thio]-4-heptynenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-2-(4-methylphenyl)sulfanylhept-4-ynenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-2-(p-tolylthio)hept-4-ynenitrile Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CC#CCCO)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CC#CCCO)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H23NO3S/c1-17-7-10-19(11-8-17)27-22(16-23,13-5-4-6-14-24)18-9-12-20(25-2)21(15-18)26-3/h7-12,15,24H,6,13-14H2,1-3H3