N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[5-[[(3-bromophenyl)methylthio]methyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[5-[[(3-bromobenzyl)thio]methyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide Formula: C17H20BrN3OS2 MolecularWeight: 426.3942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NN=C(S2)CSCC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NN=C(S2)CSCC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H20BrN3OS2/c18-14-8-4-5-12(9-14)10-23-11-15-20-21-17(24-15)19-16(22)13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11H2,(H,19,21,22)