2-azanyl-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-6-thioxo-1H-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(2-methylol-2,3-dihydro-1,4-benzodioxin-6-yl)-6-thioxo-1H-pyridine-3,5-dicarbonitrile Formula: C16H12N4O3S MolecularWeight: 340.35648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=C(C=C2)C3=C(C(=S)NC(=C3C#N)N)C#N)CO

Isomeric SMILES

C1C(OC2=C(O1)C=C(C=C2)C3=C(C(=S)NC(=C3C#N)N)C#N)CO

InChI

InChI=1S/C16H12N4O3S/c17-4-10-14(11(5-18)16(24)20-15(10)19)8-1-2-12-13(3-8)22-7-9(6-21)23-12/h1-3,9,21H,6-7H2,(H3,19,20,24)