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

Systemtic Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[5-(4-bromophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c1-14(25)15(2)26-20-23-22-19(17-8-10-18(21)11-9-17)24(20)13-12-16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3