1-(4-bromophenyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C22H24BrN3OS2 MolecularWeight: 490.47946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(N2C3CCCCC3)CC4=CC=CS4

InChI

InChI=1S/C22H24BrN3OS2/c1-15(21(27)16-9-11-17(23)12-10-16)29-22-25-24-20(14-19-8-5-13-28-19)26(22)18-6-3-2-4-7-18/h5,8-13,15,18H,2-4,6-7,14H2,1H3