6-azanyl-8-pyridin-4-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-pyridin-4-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(4-pyridyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile CAS Name: 6-amino-8-pyridin-4-yl-1,3,8,8a-tetrahydro-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-pyridin-4-yl-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(4-pyridyl)-1,3,8,8a-tetrahydroisothiochromene-5,7,7-tricarbonitrile Formula: C17H13N5S MolecularWeight: 319.38362

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=NC=C3

Isomeric SMILES

C1C=C2C(CS1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=NC=C3

InChI

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