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

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)-6-sulfanylidene-1-[3,4,5-tris(oxidanyl)oxan-2-yl]pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-methoxyphenyl)-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1-(3,4,5-trihydroxy-2-oxanyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1-(3,4,5-trihydroxyoxan-2-yl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-methoxyphenyl)-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)dinicotinonitrile Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(CO3)O)O)O)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(CO3)O)O)O)C#N

InChI

InChI=1S/C19H18N4O5S/c1-27-10-4-2-9(3-5-10)14-11(6-20)17(22)23(19(29)12(14)7-21)18-16(26)15(25)13(24)8-28-18/h2-5,13,15-16,18,24-26H,8,22H2,1H3