(3R,4S)-6-azanyl-2-azanylidene-4-(4-fluoranyl-3-phenoxy-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(4-fluoranyl-3-phenoxy-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(4-fluoro-3-phenoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-4-(4-fluoro-3-phenoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-4-(4-fluoro-3-phenoxyphenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(4-fluoro-3-phenoxy-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C19H13FN4OS MolecularWeight: 364.396123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3C(C(=N)SC(=C3C#N)N)C#N)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC(=C2)[C@@H]3[C@@H](C(=N)SC(=C3C#N)N)C#N)F

InChI

InChI=1S/C19H13FN4OS/c20-15-7-6-11(8-16(15)25-12-4-2-1-3-5-12)17-13(9-21)18(23)26-19(24)14(17)10-22/h1-8,13,17,23H,24H2/t13-,17+/m0/s1