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

Systemtic Name: 2-azanyl-6-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C20H13N4O3S2+ MolecularWeight: 421.47222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12N4O3S2/c21-7-12-18(17-2-1-5-28-17)13(8-22)20(24-19(12)23)29-9-14(25)11-3-4-15-16(6-11)27-10-26-15/h1-6H,9-10H2,(H2,23,24)/p+1