2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(2-cyanophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-benzyl-2-[2-[(2-cyanobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H18N4O2S/c22-12-16-8-4-5-9-17(16)14-28-21-24-18(11-20(27)25-21)10-19(26)23-13-15-6-2-1-3-7-15/h1-9,11H,10,13-14H2,(H,23,26)(H,24,25,27)