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

Systemtic Name: 3-nitro-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide Openeye Name: 3-nitro-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide CAS Name: 3-nitro-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]benzamide IUPAC Name: 3-nitro-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide Traditional Name: 4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-3-nitro-benzamide Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S/c1-2-3-9-7-12(19)17-14(16-9)23-11-5-4-8(13(15)20)6-10(11)18(21)22/h4-7H,2-3H2,1H3,(H2,15,20)(H,16,17,19)