4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ethoxy]benzonitrile Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H13N3O2S/c1-10-8-13(18)17-14(16-10)20-7-6-19-12-4-2-11(9-15)3-5-12/h2-5,8H,6-7H2,1H3,(H,16,17,18)