3-[2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethoxy]propanenitrile

Systemtic Name: 3-[2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethoxy]propanenitrile Openeye Name: 3-[2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethoxy]propanenitrile CAS Name: 3-[2-[[4-(4-methoxyphenyl)-2-pyrimidinyl]thio]ethoxy]propanenitrile IUPAC Name: 3-[2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethoxy]propanenitrile Traditional Name: 3-[2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]thio]ethoxy]propionitrile Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-20-14-5-3-13(4-6-14)15-7-9-18-16(19-15)22-12-11-21-10-2-8-17/h3-7,9H,2,10-12H2,1H3