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3-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile

3-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile

Systemtic Name:3-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile
Openeye Name:3-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile
CAS Name:3-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]benzonitrile
IUPAC Name:3-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile
Traditional Name:3-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]benzonitrile
Formula: C18H13N3OS
MolecularWeight: 319.38032
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=O)N=C(N2)SC3=CC=CC(=C3)C#N


Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=O)N=C(N2)SC3=CC=CC(=C3)C#N


InChI

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


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