2,5-bis[(4-methylphenyl)sulfanyl]benzenecarbonitrile

Systemtic Name: 2,5-bis[(4-methylphenyl)sulfanyl]benzenecarbonitrile Openeye Name: 2,5-bis(p-tolylsulfanyl)benzonitrile CAS Name: 2,5-bis[(4-methylphenyl)thio]benzonitrile IUPAC Name: 2,5-bis[(4-methylphenyl)sulfanyl]benzonitrile Traditional Name: 2,5-bis(p-tolylthio)benzonitrile Formula: C21H17NS2 MolecularWeight: 347.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=C(C=C2)SC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=C(C=C2)SC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C21H17NS2/c1-15-3-7-18(8-4-15)23-20-11-12-21(17(13-20)14-22)24-19-9-5-16(2)6-10-19/h3-13H,1-2H3