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

Systemtic Name: 2-bromanyl-N-[5-[(2-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 2-bromo-N-[5-(o-tolylmethylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 2-bromo-N-[5-[(2-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-bromo-N-[5-[(2-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-bromo-N-[5-(2-methylbenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H14BrN3O3S2 MolecularWeight: 452.34536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C17H14BrN3O3S2/c1-11-6-2-3-7-12(11)10-26(23,24)17-21-20-16(25-17)19-15(22)13-8-4-5-9-14(13)18/h2-9H,10H2,1H3,(H,19,20,22)