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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c1-15-22-23-20(24(15)14-16-6-3-2-4-7-16)26-13-5-8-19(25)17-9-11-18(21)12-10-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3