2-(4-benzo[e][1]benzofuran-2-ylpyrimidin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-benzo[e][1]benzofuran-2-ylpyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-benzo[e]benzofuran-2-ylpyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[[4-(2-benzo[e]benzofuranyl)-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-(4-benzo[e][1]benzofuran-2-ylpyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-benzo[e]benzofuran-2-ylpyrimidin-2-yl)thio]acetonitrile Formula: C18H11N3OS MolecularWeight: 317.36444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C4=NC(=NC=C4)SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C4=NC(=NC=C4)SCC#N

InChI

InChI=1S/C18H11N3OS/c19-8-10-23-18-20-9-7-15(21-18)17-11-14-13-4-2-1-3-12(13)5-6-16(14)22-17/h1-7,9,11H,10H2