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5-nitro-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile

5-nitro-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile

Systemtic Name:5-nitro-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile
Openeye Name:5-nitro-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzonitrile
CAS Name:5-nitro-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]benzonitrile
IUPAC Name:5-nitro-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzonitrile
Traditional Name:2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-5-nitro-benzonitrile
Formula: C14H12N4O3S
MolecularWeight: 316.33508
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N


Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N


InChI

InChI=1S/C14H12N4O3S/c1-2-3-10-7-13(19)17-14(16-10)22-12-5-4-11(18(20)21)6-9(12)8-15/h4-7H,2-3H2,1H3,(H,16,17,19)


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