2-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-hydroxyphenyl)sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-hydroxyphenyl)sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-hydroxyphenyl)sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-hydroxyphenyl)thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(4-hydroxyphenyl)thio]dinicotinonitrile Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C(=NC(=C3C#N)SC4=CC=C(C=C4)O)N)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C(=NC(=C3C#N)SC4=CC=C(C=C4)O)N)C#N

InChI

InChI=1S/C21H14N4O3S/c22-10-15-19(12-1-6-17-18(9-12)28-8-7-27-17)16(11-23)21(25-20(15)24)29-14-4-2-13(26)3-5-14/h1-6,9,26H,7-8H2,(H2,24,25)