2-(4-bromophenyl)-5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-bromophenyl)-5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-bromophenyl)-1,3,4-oxadiazole CAS Name: 2-(4-bromophenyl)-5-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-bromophenyl)-5-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NN=C(O2)C3=CC=C(C=C3)Br)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NN=C(O2)C3=CC=C(C=C3)Br)C4CCCCC4

InChI

InChI=1S/C20H22BrN5OS/c1-2-12-26-18(14-6-4-3-5-7-14)23-25-20(26)28-13-17-22-24-19(27-17)15-8-10-16(21)11-9-15/h2,8-11,14H,1,3-7,12-13H2