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

Systemtic Name: (3S,4S)-6-azanyl-2-azanylidene-4-(3,4-dimethoxy-2-nitro-phenyl)-3,4-dihydrothiopyran-3,5-dicarbonitrile Openeye Name: (3S,4S)-6-amino-4-(3,4-dimethoxy-2-nitro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile CAS Name: (3S,4S)-6-amino-4-(3,4-dimethoxy-2-nitrophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile IUPAC Name: (3S,4S)-6-amino-4-(3,4-dimethoxy-2-nitrophenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Traditional Name: (3S,4S)-6-amino-4-(3,4-dimethoxy-2-nitro-phenyl)-2-imino-3,4-dihydrothiopyran-3,5-dicarbonitrile Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O4S/c1-23-10-4-3-7(12(20(21)22)13(10)24-2)11-8(5-16)14(18)25-15(19)9(11)6-17/h3-4,8,11,18H,19H2,1-2H3/t8-,11-/m1/s1