2,4-bis[(4-methoxyphenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2,4-bis[(4-methoxyphenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2,4-bis[(4-methoxyphenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2,4-bis[(4-methoxyphenyl)methylthio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis[(4-methoxyphenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(methylthio)-2,6-bis(p-anisylthio)pyrimidine-5-carbonitrile Formula: C22H21N3O2S3 MolecularWeight: 455.61604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NC(=NC(=C2C#N)SC)SCC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NC(=NC(=C2C#N)SC)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21N3O2S3/c1-26-17-8-4-15(5-9-17)13-29-21-19(12-23)20(28-3)24-22(25-21)30-14-16-6-10-18(27-2)11-7-16/h4-11H,13-14H2,1-3H3