2-[(2-chloranyl-3-nitro-phenyl)methyl]-3-oxidanyl-3-pyrimidin-4-yl-propanethioamide

Systemtic Name: 2-[(2-chloranyl-3-nitro-phenyl)methyl]-3-oxidanyl-3-pyrimidin-4-yl-propanethioamide Openeye Name: 2-[(2-chloro-3-nitro-phenyl)methyl]-3-hydroxy-3-pyrimidin-4-yl-propanethioamide CAS Name: 2-[(2-chloro-3-nitrophenyl)methyl]-3-hydroxy-3-(4-pyrimidinyl)propanethioamide IUPAC Name: 2-[(2-chloro-3-nitrophenyl)methyl]-3-hydroxy-3-pyrimidin-4-ylpropanethioamide Traditional Name: 2-(2-chloro-3-nitro-benzyl)-3-hydroxy-3-(4-pyrimidyl)thiopropionamide Formula: C14H13ClN4O3S MolecularWeight: 352.79602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)CC(C(C2=NC=NC=C2)O)C(=S)N

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)CC(C(C2=NC=NC=C2)O)C(=S)N

InChI

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