2-azanyl-4-(furan-2-yl)-6-[(1R)-2-oxidanylidenecyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(furan-2-yl)-6-[(1R)-2-oxidanylidenecyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(2-furyl)-6-[(1R)-2-oxocyclohexyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(2-furanyl)-6-[[(1R)-2-oxocyclohexyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(furan-2-yl)-6-[(1R)-2-oxocyclohexyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(2-furyl)-6-[[(1R)-2-ketocyclohexyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C17H15N4O2S+ MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CO3)C#N

Isomeric SMILES

C1CCC(=O)[C@@H](C1)SC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C17H14N4O2S/c18-8-10-15(13-5-3-7-23-13)11(9-19)17(21-16(10)20)24-14-6-2-1-4-12(14)22/h3,5,7,14H,1-2,4,6H2,(H2,20,21)/p+1/t14-/m1/s1