2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanenitrile Openeye Name: 2-(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)acetonitrile CAS Name: 2-[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetonitrile IUPAC Name: 2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)acetonitrile Traditional Name: 2-[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]acetonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC#N

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2)CC#N

InChI

InChI=1S/C14H13N3OS/c1-11-9-13(18)17(8-7-15)14(16-11)19-10-12-5-3-2-4-6-12/h2-6,9H,8,10H2,1H3