(3R,4S)-6-azanyl-2-azanylidene-4-(3-bromophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3R,4S)-6-azanyl-2-azanylidene-4-(3-bromophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3R,4S)-6-amino-4-(3-bromophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3R,4S)-6-amino-4-(3-bromophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3R,4S)-6-amino-4-(3-bromophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3R,4S)-6-amino-4-(3-bromophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C13H9BrN4S MolecularWeight: 333.20636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9BrN4S/c14-8-3-1-2-7(4-8)11-9(5-15)12(17)19-13(18)10(11)6-16/h1-4,9,11,17H,18H2/t9-,11+/m0/s1