(3S,4R)-6-azanyl-2-azanylidene-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile

Systemtic Name: (3S,4R)-6-azanyl-2-azanylidene-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C14H11N5O4S MolecularWeight: 345.33324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(C(=N)SC(=C2C#N)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1O)[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/t7-,11+/m1/s1