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

Systemtic Name: 1-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-phenyl]ethanone Formula: C11H10N4O3S2 MolecularWeight: 310.3521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O3S2/c1-6(16)7-3-4-9(8(5-7)15(17)18)19-11-14-13-10(12-2)20-11/h3-5H,1-2H3,(H,12,13)