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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(4-hydroxyphenyl)sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-hydroxyphenyl)sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[(4-hydroxyphenyl)thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[(4-hydroxyphenyl)thio]dinicotinonitrile Formula: C20H12N4O3S MolecularWeight: 388.39928

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SC4=CC=C(C=C4)O)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SC4=CC=C(C=C4)O)N)C#N

InChI

InChI=1S/C20H12N4O3S/c21-8-14-18(11-1-6-16-17(7-11)27-10-26-16)15(9-22)20(24-19(14)23)28-13-4-2-12(25)3-5-13/h1-7,25H,10H2,(H2,23,24)