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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-benzylsulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-benzylsulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(benzylthio)dinicotinonitrile Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C21H14N4O2S/c22-9-15-19(14-6-7-17-18(8-14)27-12-26-17)16(10-23)21(25-20(15)24)28-11-13-4-2-1-3-5-13/h1-8H,11-12H2,(H2,24,25)