4-[(3S,4R)-6-azanyl-2-azanylidene-3,5-dicyano-3,4-dihydrothiopyran-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(3S,4R)-6-azanyl-2-azanylidene-3,5-dicyano-3,4-dihydrothiopyran-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(3S,4R)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(3S,4R)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(3S,4R)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(3S,4R)-6-amino-3,5-dicyano-2-imino-3,4-dihydrothiopyran-4-yl]-2-methoxy-6-nitro-phenolate Formula: C14H10N5O4S- MolecularWeight: 344.3253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2[C@H](C(=N)SC(=C2C#N)N)C#N

InChI

InChI=1S/C14H11N5O4S/c1-23-10-3-6(2-9(12(10)20)19(21)22)11-7(4-15)13(17)24-14(18)8(11)5-16/h2-3,7,11,17,20H,18H2,1H3/p-1/t7-,11+/m1/s1