4-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methylsulfanylmethyl]benzonitrile CAS Name: 4-[[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methylthio]methyl]benzonitrile IUPAC Name: 4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 4-[[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methylthio]methyl]benzonitrile Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)CSCC2=CC=C(C=C2)C#N

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)CSCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H15N3O2S/c1-17-13(7-14(19)18(2)15(17)20)10-21-9-12-5-3-11(8-16)4-6-12/h3-7H,9-10H2,1-2H3