N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[5-[2-(p-tolylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[5-(2-tosylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H16N4O5S2 MolecularWeight: 432.47344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S2/c1-12-2-8-15(9-3-12)29(26,27)11-10-16-20-21-18(28-16)19-17(23)13-4-6-14(7-5-13)22(24)25/h2-9H,10-11H2,1H3,(H,19,21,23)