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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(S2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O3S2/c1-7-3-4-9(5-10(7)15(17)18)11(16)6-19-12-14-13-8(2)20-12/h3-5H,6H2,1-2H3