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

Systemtic Name: 1-(4-bromophenyl)-4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCCCC(=O)C2=CC=C(C=C2)Br)C3=CC=CO3

InChI

InChI=1S/C17H16BrN3O2S/c1-21-16(15-5-2-10-23-15)19-20-17(21)24-11-3-4-14(22)12-6-8-13(18)9-7-12/h2,5-10H,3-4,11H2,1H3