6-azanyl-3,5-dicyano-2,4-bis(4-nitrophenyl)-2,4-dihydrothiopyran-3-carbothioamide

Systemtic Name: 6-azanyl-3,5-dicyano-2,4-bis(4-nitrophenyl)-2,4-dihydrothiopyran-3-carbothioamide Openeye Name: 6-amino-3,5-dicyano-2,4-bis(4-nitrophenyl)-2,4-dihydrothiopyran-3-carbothioamide CAS Name: 6-amino-3,5-dicyano-2,4-bis(4-nitrophenyl)-2,4-dihydrothiopyran-3-carbothioamide IUPAC Name: 6-amino-3,5-dicyano-2,4-bis(4-nitrophenyl)-2,4-dihydrothiopyran-3-carbothioamide Traditional Name: 6-amino-3,5-dicyano-2,4-bis(4-nitrophenyl)-2,4-dihydrothiopyran-3-carbothioamide Formula: C20H14N6O4S2 MolecularWeight: 466.49296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=C(SC(C2(C#N)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2C(=C(SC(C2(C#N)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-])N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O4S2/c21-9-15-16(11-1-5-13(6-2-11)25(27)28)20(10-22,19(24)31)17(32-18(15)23)12-3-7-14(8-4-12)26(29)30/h1-8,16-17H,23H2,(H2,24,31)