3-(3,4-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-benzenecarbonitrile

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-benzenecarbonitrile Openeye Name: 3-(3,4-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)-2-methyl-6-methylsulfanyl-benzonitrile CAS Name: 3-(3,4-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)-2-methyl-6-(methylthio)benzonitrile IUPAC Name: 3-(3,4-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)-2-methyl-6-methylsulfanylbenzonitrile Traditional Name: 3-(3,4-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)-2-methyl-6-(methylthio)benzonitrile Formula: C31H29NO4S MolecularWeight: 511.63126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)SC)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)SC)C#N

InChI

InChI=1S/C31H29NO4S/c1-19-25(18-32)31(37-6)30(21-9-14-24(34-3)15-10-21)29(20-7-12-23(33-2)13-8-20)28(19)22-11-16-26(35-4)27(17-22)36-5/h7-17H,1-6H3