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

Systemtic Name: 4-(phenylmethylsulfanyl)-5-piperidin-1-yl-benzene-1,2-dicarbonitrile Openeye Name: 4-benzylsulfanyl-5-(1-piperidyl)phthalonitrile CAS Name: 4-(phenylmethylthio)-5-(1-piperidinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-benzylsulfanyl-5-piperidin-1-ylbenzene-1,2-dicarbonitrile Traditional Name: 4-(benzylthio)-5-piperidino-phthalonitrile Formula: C20H19N3S MolecularWeight: 333.44996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)SCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3S/c21-13-17-11-19(23-9-5-2-6-10-23)20(12-18(17)14-22)24-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-12H,2,5-6,9-10,15H2