4-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H13N3OS/c1-2-12-7-13(18)17-14(16-12)19-9-11-5-3-10(8-15)4-6-11/h3-7H,2,9H2,1H3,(H,16,17,18)