2-azanyl-6-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C19H12ClN4O2S2+ MolecularWeight: 427.90718

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=CS4)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=CS4)C#N)Cl

InChI

InChI=1S/C19H11ClN4O2S2/c20-13-5-15-14(25-9-26-15)4-10(13)8-28-19-12(7-22)17(16-2-1-3-27-16)11(6-21)18(23)24-19/h1-5H,8-9H2,(H2,23,24)/p+1