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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

Isomeric SMILES

CC1CC(C(=O)O1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CC=C4Br

InChI

InChI=1S/C20H18BrN3O2S/c1-13-11-17(19(25)26-13)27-20-23-22-18(15-9-5-6-10-16(15)21)24(20)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3