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

Systemtic Name: 2,6-bis(azanyl)-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile Openeye Name: 2,6-diamino-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile CAS Name: 2,6-diamino-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile IUPAC Name: 2,6-diamino-4-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-4H-thiopyran-3,5-dicarbonitrile Traditional Name: 2,6-diamino-4-(6,7-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=C(C2=C(C=C1C3C(=C(SC(=C3C#N)N)N)C#N)OCO2)OC

Isomeric SMILES

COC1=C(C2=C(C=C1C3C(=C(SC(=C3C#N)N)N)C#N)OCO2)OC

InChI

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