1-azanyl-3-pyridin-1-ium-4-yl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile

Systemtic Name: 1-azanyl-3-pyridin-1-ium-4-yl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile Openeye Name: 1-amino-3-pyridin-1-ium-4-yl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile CAS Name: 1-amino-3-(4-pyridin-1-iumyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile IUPAC Name: 1-amino-3-pyridin-1-ium-4-yl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile Traditional Name: 1-amino-3-pyridin-1-ium-4-yl-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile Formula: C18H12N5S+ MolecularWeight: 330.38638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=C(C(C(=C3S2)C#N)C4=CC=[NH+]C=C4)C#N)N

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=C(C(C(=C3S2)C#N)C4=CC=[NH+]C=C4)C#N)N

InChI

InChI=1S/C18H11N5S/c19-9-12-16(11-5-7-22-8-6-11)13(10-20)18-23(17(12)21)14-3-1-2-4-15(14)24-18/h1-8,16H,21H2/p+1