2-azanyl-6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H18FN6OS+ MolecularWeight: 397.449223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C19H17FN6OS/c20-15-3-1-2-4-16(15)25-5-7-26(8-6-25)17(27)12-28-19-14(11-22)9-13(10-21)18(23)24-19/h1-4,9H,5-8,12H2,(H2,23,24)/p+1