N-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-thiadiazol-2-yl]-N-cyclopropyl-propanamide

Systemtic Name: N-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-thiadiazol-2-yl]-N-cyclopropyl-propanamide Openeye Name: N-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-thiadiazol-2-yl]-N-cyclopropyl-propanamide CAS Name: N-[5-[2-(4-bromophenyl)sulfonylethylthio]-1,3,4-thiadiazol-2-yl]-N-cyclopropylpropanamide IUPAC Name: N-[5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-1,3,4-thiadiazol-2-yl]-N-cyclopropylpropanamide Traditional Name: N-[5-(2-brosylethylthio)-1,3,4-thiadiazol-2-yl]-N-cyclopropyl-propionamide Formula: C16H18BrN3O3S3 MolecularWeight: 476.43142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC1)C2=NN=C(S2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(=O)N(C1CC1)C2=NN=C(S2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN3O3S3/c1-2-14(21)20(12-5-6-12)15-18-19-16(25-15)24-9-10-26(22,23)13-7-3-11(17)4-8-13/h3-4,7-8,12H,2,5-6,9-10H2,1H3