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

Systemtic Name: 1-(4-bromophenyl)-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C21H22BrN3O2S2/c22-16-9-7-15(8-10-16)18(26)5-2-13-29-21-24-23-20(19-6-3-12-28-19)25(21)14-17-4-1-11-27-17/h3,6-10,12,17H,1-2,4-5,11,13-14H2