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

Systemtic Name: 4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C18H13N3OS MolecularWeight: 319.38032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3OS/c19-11-13-6-8-14(9-7-13)12-23-18-20-16(10-17(22)21-18)15-4-2-1-3-5-15/h1-10H,12H2,(H,20,21,22)