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

Systemtic Name: 3-nitro-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile Openeye Name: 3-nitro-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzonitrile CAS Name: 3-nitro-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]benzonitrile IUPAC Name: 3-nitro-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzonitrile Traditional Name: 4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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