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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(3-chlorophenyl)sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-chlorophenyl)sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[(3-chlorophenyl)thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-[(3-chlorophenyl)thio]dinicotinonitrile Formula: C20H11ClN4O2S MolecularWeight: 406.84494

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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(=CC=C4)Cl)N)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H11ClN4O2S/c21-12-2-1-3-13(7-12)28-20-15(9-23)18(14(8-22)19(24)25-20)11-4-5-16-17(6-11)27-10-26-16/h1-7H,10H2,(H2,24,25)