1-(2-chloranyl-5-nitro-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-chloro-5-nitro-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-chloro-5-nitrophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-chloro-5-nitrophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-chloro-5-nitro-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C11H9ClN4O3S MolecularWeight: 312.73216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H9ClN4O3S/c1-6-13-11(15-14-6)20-5-10(17)8-4-7(16(18)19)2-3-9(8)12/h2-4H,5H2,1H3,(H,13,14,15)