2-[5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-[5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-2-phenyl-ethanenitrile Openeye Name: 2-[5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile CAS Name: 2-[5-ethyl-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-2-phenylacetonitrile IUPAC Name: 2-[5-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-2-phenylacetonitrile Traditional Name: 2-[5-ethyl-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-yl]-2-phenyl-acetonitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])C(C#N)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)[N+](=O)[O-])C(C#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O3S/c1-2-17-19(18(12-22)15-6-4-3-5-7-15)23-21(24-20(17)26)29-13-14-8-10-16(11-9-14)25(27)28/h3-11,18H,2,13H2,1H3,(H,23,24,26)