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

Systemtic Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide CAS Name: 2-[2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetamide Traditional Name: N-benzyl-2-[4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-yl]acetamide Formula: C20H18N4O4S MolecularWeight: 410.44632

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c25-18(21-12-14-4-2-1-3-5-14)10-16-11-19(26)23-20(22-16)29-13-15-6-8-17(9-7-15)24(27)28/h1-9,11H,10,12-13H2,(H,21,25)(H,22,23,26)