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

Systemtic Name: 1-(4-bromophenyl)-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O2S/c1-12-15(9-10-24-12)17-20-21-18(22(17)2)25-11-3-4-16(23)13-5-7-14(19)8-6-13/h5-10H,3-4,11H2,1-2H3