2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC#N

InChI

InChI=1S/C13H11N3OS/c1-17-11-4-2-10(3-5-11)12-6-8-15-13(16-12)18-9-7-14/h2-6,8H,9H2,1H3