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

Systemtic Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]ethanone Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O3S/c1-7(16)8-3-4-10(9(5-8)15(17)18)19-11-13-12-6-14(11)2/h3-6H,1-2H3