N-(4-chloranyl-2-nitro-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O4S/c1-3-4-11-8-14(22)20-16(18-11)26-9(2)15(23)19-12-6-5-10(17)7-13(12)21(24)25/h5-9H,3-4H2,1-2H3,(H,19,23)(H,18,20,22)