1-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C10H8N4O3S2 MolecularWeight: 296.32552

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)N)[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O3S2/c1-5(15)6-2-3-8(7(4-6)14(16)17)18-10-13-12-9(11)19-10/h2-4H,1H3,(H2,11,12)