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

Systemtic Name: (3S,4R)-6-azanyl-2-azanylidene-4-(5-bromanyl-2-fluoranyl-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4R)-6-amino-4-(5-bromo-2-fluoro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4R)-6-amino-4-(5-bromo-2-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4R)-6-amino-4-(5-bromo-2-fluorophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4R)-6-amino-4-(5-bromo-2-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=C1Br)C2C(C(=N)SC(=C2C#N)N)C#N)F

Isomeric SMILES

C1=CC(=C(C=C1Br)[C@H]2[C@H](C(=N)SC(=C2C#N)N)C#N)F

InChI

InChI=1S/C13H8BrFN4S/c14-6-1-2-10(15)7(3-6)11-8(4-16)12(18)20-13(19)9(11)5-17/h1-3,8,11,18H,19H2/t8-,11+/m1/s1