2,6-bis(azanyl)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile

Systemtic Name: 2,6-bis(azanyl)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile Openeye Name: 2,6-diamino-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile CAS Name: 2,6-diamino-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile IUPAC Name: 2,6-diamino-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile Traditional Name: 2,6-diamino-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)C3C(=C(SC(=C3C#N)N)N)C#N)OC)OCO2

Isomeric SMILES

COC1=C2C(=C(C(=C1)C3C(=C(SC(=C3C#N)N)N)C#N)OC)OCO2

InChI

InChI=1S/C16H14N4O4S/c1-21-10-3-7(12(22-2)14-13(10)23-6-24-14)11-8(4-17)15(19)25-16(20)9(11)5-18/h3,11H,6,19-20H2,1-2H3