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

Systemtic Name: 1-[4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]ethanone Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4S2/c1-8(18)9-3-4-11(10(7-9)17(19)20)22-13-16-15-12(23-13)14-5-6-21-2/h3-4,7H,5-6H2,1-2H3,(H,14,15)