2-azanyl-4-phenyl-6-sulfanylidene-1-[3,4,5-tris(oxidanyl)oxan-2-yl]pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-phenyl-6-sulfanylidene-1-[3,4,5-tris(oxidanyl)oxan-2-yl]pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-phenyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-phenyl-6-sulfanylidene-1-(3,4,5-trihydroxy-2-oxanyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-phenyl-6-sulfanylidene-1-(3,4,5-trihydroxyoxan-2-yl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-phenyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)dinicotinonitrile Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)O)O)O

Isomeric SMILES

C1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)O)O)O

InChI

InChI=1S/C18H16N4O4S/c19-6-10-13(9-4-2-1-3-5-9)11(7-20)18(27)22(16(10)21)17-15(25)14(24)12(23)8-26-17/h1-5,12,14-15,17,23-25H,8,21H2