actinium; [4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]phenyl]azanide

Systemtic Name: actinium; [4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]phenyl]azanide Openeye Name: actinium; [4-[4-(4-phenylsulfanyl-1-piperidyl)but-1-ynyl]phenyl]azanide CAS Name: actinium; [4-[4-[4-(phenylthio)-1-piperidinyl]but-1-ynyl]phenyl]azanide IUPAC Name: actinium; [4-[4-(4-phenylsulfanylpiperidin-1-yl)but-1-ynyl]phenyl]azanide Traditional Name: actinium; [4-[4-[4-(phenylthio)piperidino]but-1-ynyl]phenyl]azanide Formula: C21H23AcN2S- MolecularWeight: 562.513467

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=C2)CCC#CC3=CC=C(C=C3)[NH-].[Ac]

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=C2)CCC#CC3=CC=C(C=C3)[NH-].[Ac]

InChI

InChI=1S/C21H23N2S.Ac/c22-19-11-9-18(10-12-19)6-4-5-15-23-16-13-21(14-17-23)24-20-7-2-1-3-8-20;/h1-3,7-12,21-22H,5,13-17H2;/q-1;