(5S,8S,8aR)-6-azanylidene-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile

Systemtic Name: (5S,8S,8aR)-6-azanylidene-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile Openeye Name: (5S,8S,8aR)-6-imino-8-(3-pyridyl)-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile CAS Name: (5S,8S,8aR)-6-imino-8-(3-pyridinyl)-3,5,8,8a-tetrahydro-1H-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: (5S,8S,8aR)-6-imino-8-pyridin-3-yl-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile Traditional Name: (5S,8S,8aR)-6-imino-8-(3-pyridyl)-3,5,8,8a-tetrahydro-1H-isothiochromene-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(=N)C2C#N)(C#N)C#N)C3=CN=CC=C3

Isomeric SMILES

C1C=C2[C@H](CS1)[C@H](C(C(=N)[C@H]2C#N)(C#N)C#N)C3=CN=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/h1-4,7,13-15,21H,5,8H2/t13-,14-,15+/m0/s1