3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1COC(=O)C1SC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O2S/c21-16-8-6-15(7-9-16)18-22-23-20(27-17-11-13-26-19(17)25)24(18)12-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2