2-azanyl-4-(furan-2-yl)-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(furan-2-yl)-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(2-furyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(2-furanyl)-6-(phenylmethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(2-furyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C18H13N4OS+ MolecularWeight: 333.38702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CO3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C18H12N4OS/c19-9-13-16(15-7-4-8-23-15)14(10-20)18(22-17(13)21)24-11-12-5-2-1-3-6-12/h1-8H,11H2,(H2,21,22)/p+1