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

Systemtic Name: 4-bromanyl-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-bromo-N-[5-[2-(p-tolylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-bromo-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-bromo-N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-bromo-N-[5-(2-tosylethyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H16BrN3O3S2 MolecularWeight: 466.37194

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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)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O3S2/c1-12-2-8-15(9-3-12)27(24,25)11-10-16-21-22-18(26-16)20-17(23)13-4-6-14(19)7-5-13/h2-9H,10-11H2,1H3,(H,20,22,23)