4-(4-methylphenyl)sulfanyl-5-piperidin-1-yl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(4-methylphenyl)sulfanyl-5-piperidin-1-yl-benzene-1,2-dicarbonitrile Openeye Name: 4-(1-piperidyl)-5-(p-tolylsulfanyl)phthalonitrile CAS Name: 4-[(4-methylphenyl)thio]-5-(1-piperidinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-(4-methylphenyl)sulfanyl-5-piperidin-1-ylbenzene-1,2-dicarbonitrile Traditional Name: 4-piperidino-5-(p-tolylthio)phthalonitrile Formula: C20H19N3S MolecularWeight: 333.44996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)C#N)C#N)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)C#N)C#N)N3CCCCC3

InChI

InChI=1S/C20H19N3S/c1-15-5-7-18(8-6-15)24-20-12-17(14-22)16(13-21)11-19(20)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3