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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N5O2S/c14-5-9-11(10(6-15)13(17)21-12(9)16)7-2-1-3-8(4-7)18(19)20/h1-4,9,11,16H,17H2/t9-,11-/m1/s1