N-(2-chloranyl-5-nitro-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C12H12ClN5O3S MolecularWeight: 341.77338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H12ClN5O3S/c1-7-15-16-12(17(7)2)22-6-11(19)14-10-5-8(18(20)21)3-4-9(10)13/h3-5H,6H2,1-2H3,(H,14,19)