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

Systemtic Name: 2-azanyl-4-methyl-6-sulfanylidene-1-[3,4,5-tris(oxidanyl)oxan-2-yl]pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-methyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-methyl-6-sulfanylidene-1-(3,4,5-trihydroxy-2-oxanyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-methyl-6-sulfanylidene-1-(3,4,5-trihydroxyoxan-2-yl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-methyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)dinicotinonitrile Formula: C13H14N4O4S MolecularWeight: 322.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(CO2)O)O)O)C#N

Isomeric SMILES

CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(CO2)O)O)O)C#N

InChI

InChI=1S/C13H14N4O4S/c1-5-6(2-14)11(16)17(13(22)7(5)3-15)12-10(20)9(19)8(18)4-21-12/h8-10,12,18-20H,4,16H2,1H3