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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H20BrN3OS/c1-14-5-11-18(12-6-14)24-15(2)22-23-20(24)26-13-3-4-19(25)16-7-9-17(21)10-8-16/h5-12H,3-4,13H2,1-2H3