6-azanyl-8-pyridin-1-ium-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-pyridin-1-ium-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-pyridin-1-ium-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3-pyridin-1-iumyl)-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-pyridin-1-ium-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-pyridin-1-ium-3-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Formula: C17H14N5S+ MolecularWeight: 320.39156

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C[NH+]=CC=C3

Isomeric SMILES

C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=C[NH+]=CC=C3

InChI

InChI=1S/C17H13N5S/c18-6-13-12-3-5-23-8-14(12)15(11-2-1-4-22-7-11)17(9-19,10-20)16(13)21/h1-4,7,14-15H,5,8,21H2/p+1