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

Systemtic Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-yl]-N-(2-thenyl)acetamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S2/c23-16(19-10-15-2-1-7-27-15)8-13-9-17(24)21-18(20-13)28-11-12-3-5-14(6-4-12)22(25)26/h1-7,9H,8,10-11H2,(H,19,23)(H,20,21,24)