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

Systemtic Name: 2,4-bis[(4-bromophenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2,4-bis[(4-bromophenyl)methylsulfanyl]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2,4-bis[(4-bromophenyl)methylthio]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2,4-bis[(4-bromophenyl)methylsulfanyl]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2,4-bis[(4-bromobenzyl)thio]-6-(methylthio)pyrimidine-5-carbonitrile Formula: C20H15Br2N3S3 MolecularWeight: 553.3562

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)Br)SCC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)SCC2=CC=C(C=C2)Br)SCC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C20H15Br2N3S3/c1-26-18-17(10-23)19(27-11-13-2-6-15(21)7-3-13)25-20(24-18)28-12-14-4-8-16(22)9-5-14/h2-9H,11-12H2,1H3