2-azanyl-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(4-pyridylmethylsulfanyl)-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(pyridin-4-ylmethylthio)-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(4-pyridylmethylthio)-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C17H12N5S2+ MolecularWeight: 350.44068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=NC=C3)N)C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=NC=C3)N)C#N

InChI

InChI=1S/C17H11N5S2/c18-8-12-15(14-2-1-7-23-14)13(9-19)17(22-16(12)20)24-10-11-3-5-21-6-4-11/h1-7H,10H2,(H2,20,22)/p+1