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

Systemtic Name: (3S,4R)-6-azanyl-2-azanylidene-4-(2-nitrophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4R)-6-amino-2-imino-4-(2-nitrophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4R)-6-amino-2-imino-4-(2-nitrophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4R)-6-amino-2-imino-4-(2-nitrophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4R)-6-amino-2-imino-4-(2-nitrophenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C13H9N5O2S MolecularWeight: 299.30786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2C(C(=N)SC(=C2C#N)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[C@H]2[C@H](C(=N)SC(=C2C#N)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O2S/c14-5-8-11(9(6-15)13(17)21-12(8)16)7-3-1-2-4-10(7)18(19)20/h1-4,8,11,16H,17H2/t8-,11+/m1/s1