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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(ethylamino)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-6-(ethylamino)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(ethylamino)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-6-(ethylamino)pyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(benzylthio)-6-(ethylamino)dinicotinonitrile Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C23H18N4O2S/c1-2-26-22-17(11-24)21(16-8-9-19-20(10-16)29-14-28-19)18(12-25)23(27-22)30-13-15-6-4-3-5-7-15/h3-10H,2,13-14H2,1H3,(H,26,27)