2-[1-(1,2-dihydroacenaphthylen-1-yl)-3-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile

Systemtic Name: 2-[1-(1,2-dihydroacenaphthylen-1-yl)-3-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile Openeye Name: 2-[1-(1,2-dihydroacenaphthylen-1-yl)-3-[2-[[3-(1-piperidylmethyl)phenyl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile CAS Name: 2-[1-(1,2-dihydroacenaphthylen-1-yl)-3-[2-[[3-(1-piperidinylmethyl)phenyl]methylthio]ethyl]-2-imidazolidinylidene]propanedinitrile IUPAC Name: 2-[1-(1,2-dihydroacenaphthylen-1-yl)-3-[2-[[3-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile Traditional Name: 2-[1-acenaphthen-1-yl-3-[2-[[3-(piperidinomethyl)benzyl]thio]ethyl]imidazolidin-2-ylidene]malononitrile Formula: C33H35N5S MolecularWeight: 533.7295

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)CSCCN3CCN(C3=C(C#N)C#N)C4CC5=CC=CC6=C5C4=CC=C6

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)CSCCN3CCN(C3=C(C#N)C#N)C4CC5=CC=CC6=C5C4=CC=C6

InChI

InChI=1S/C33H35N5S/c34-21-29(22-35)33-37(15-16-38(33)31-20-28-11-5-9-27-10-6-12-30(31)32(27)28)17-18-39-24-26-8-4-7-25(19-26)23-36-13-2-1-3-14-36/h4-12,19,31H,1-3,13-18,20,23-24H2