(5R,8R,8aR)-6-azanylidene-8-phenyl-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile

Systemtic Name: (5R,8R,8aR)-6-azanylidene-8-phenyl-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile Openeye Name: (5R,8R,8aR)-6-imino-8-phenyl-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile CAS Name: (5R,8R,8aR)-6-imino-8-phenyl-3,5,8,8a-tetrahydro-1H-2-benzothiopyran-5,7,7-tricarbonitrile IUPAC Name: (5R,8R,8aR)-6-imino-8-phenyl-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile Traditional Name: (5R,8R,8aR)-6-imino-8-phenyl-3,5,8,8a-tetrahydro-1H-isothiochromene-5,7,7-tricarbonitrile Formula: C18H14N4S MolecularWeight: 318.39556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C=C2[C@H](CS1)[C@@H](C(C(=N)[C@@H]2C#N)(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4S/c19-8-14-13-6-7-23-9-15(13)16(12-4-2-1-3-5-12)18(10-20,11-21)17(14)22/h1-6,14-16,22H,7,9H2/t14-,15+,16+/m1/s1