6-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[(4-nitrophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[(4-nitrobenzyl)thio]-1H-pyrimidine-5-carbonitrile Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H12N4O3S/c1-2-12-11(7-15)13(19)17-14(16-12)22-8-9-3-5-10(6-4-9)18(20)21/h3-6H,2,8H2,1H3,(H,16,17,19)