2-azanyl-6-(1,3-benzothiazol-2-ylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(1,3-benzothiazol-2-ylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(1,3-benzothiazol-2-ylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(1,3-benzothiazol-2-ylmethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(1,3-benzothiazol-2-ylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(1,3-benzothiazol-2-ylmethylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H10N5S2+ MolecularWeight: 324.4034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C15H9N5S2/c16-6-9-5-10(7-17)15(20-14(9)18)21-8-13-19-11-3-1-2-4-12(11)22-13/h1-5H,8H2,(H2,18,20)/p+1