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

Systemtic Name: 1-(3-bromophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromophenyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromophenyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C18H16BrN3OS/c1-12-5-3-8-16(9-12)22-13(2)20-21-18(22)24-11-17(23)14-6-4-7-15(19)10-14/h3-10H,11H2,1-2H3