4-[[2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[(4-cyanophenyl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[(4-cyanophenyl)methylthio]-6-methyl-4-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[(4-cyanophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[(4-cyanobenzyl)thio]-6-methyl-pyrimidin-4-yl]thio]methyl]benzonitrile Formula: C21H16N4S2 MolecularWeight: 388.50854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C#N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C#N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16N4S2/c1-15-10-20(26-13-18-6-2-16(11-22)3-7-18)25-21(24-15)27-14-19-8-4-17(12-23)5-9-19/h2-10H,13-14H2,1H3