2-chloranyl-5-nitro-N-(3-pyrimidin-2-ylsulfanylpropyl)benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-(3-pyrimidin-2-ylsulfanylpropyl)benzamide Openeye Name: 2-chloro-5-nitro-N-(3-pyrimidin-2-ylsulfanylpropyl)benzamide CAS Name: 2-chloro-5-nitro-N-[3-(2-pyrimidinylthio)propyl]benzamide IUPAC Name: 2-chloro-5-nitro-N-(3-pyrimidin-2-ylsulfanylpropyl)benzamide Traditional Name: 2-chloro-5-nitro-N-[3-(2-pyrimidylthio)propyl]benzamide Formula: C14H13ClN4O3S MolecularWeight: 352.79602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CN=C(N=C1)SCCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN4O3S/c15-12-4-3-10(19(21)22)9-11(12)13(20)16-7-2-8-23-14-17-5-1-6-18-14/h1,3-6,9H,2,7-8H2,(H,16,20)