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

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(3-bromanyl-4-fluoranyl-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(3-bromo-4-fluoro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-4-(3-bromo-4-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-4-(3-bromo-4-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(3-bromo-4-fluoro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C13H8BrFN4S MolecularWeight: 351.196823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2C(C(=N)SC(=C2C#N)N)C#N)Br)F

Isomeric SMILES

C1=CC(=C(C=C1[C@@H]2[C@@H](C(=N)SC(=C2C#N)N)C#N)Br)F

InChI

InChI=1S/C13H8BrFN4S/c14-9-3-6(1-2-10(9)15)11-7(4-16)12(18)20-13(19)8(11)5-17/h1-3,7,11,18H,19H2/t7-,11+/m0/s1