2-azanyl-4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-(phenylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-[2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl]-6-(phenylthio)dinicotinonitrile Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)C3=C(C(=NC(=C3C#N)SC4=CC=CC=C4)N)C#N

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)C3=C(C(=NC(=C3C#N)SC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C23H18N4O2S/c1-14(9-15-7-8-19-20(10-15)29-13-28-19)21-17(11-24)22(26)27-23(18(21)12-25)30-16-5-3-2-4-6-16/h2-8,10,14H,9,13H2,1H3,(H2,26,27)