N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[5-(m-tolylmethylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[5-(3-methylbenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)acetamide Formula: C18H16N4O6S2 MolecularWeight: 448.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(S2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O6S2/c1-12-5-4-6-13(9-12)11-30(26,27)18-21-20-17(29-18)19-16(23)10-28-15-8-3-2-7-14(15)22(24)25/h2-9H,10-11H2,1H3,(H,19,20,23)