1-(4-bromophenyl)-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]butan-1-one Formula: C18H22BrN3OS2 MolecularWeight: 440.42078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3OS2/c19-14-10-8-13(9-11-14)16(23)7-4-12-24-18-22-21-17(25-18)20-15-5-2-1-3-6-15/h8-11,15H,1-7,12H2,(H,20,21)