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

Systemtic Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[4-(2-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C23H20BrN3O2S2 MolecularWeight: 514.4578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C23H20BrN3O2S2/c1-29-20-8-3-2-6-18(20)27-22(21-9-5-14-30-21)25-26-23(27)31-15-4-7-19(28)16-10-12-17(24)13-11-16/h2-3,5-6,8-14H,4,7,15H2,1H3