N-(2-chloranyl-5-nitro-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC=CN2C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC=CN2C

InChI

InChI=1S/C13H13ClN4O3S/c1-8(22-13-15-5-6-17(13)2)12(19)16-11-7-9(18(20)21)3-4-10(11)14/h3-8H,1-2H3,(H,16,19)