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

Systemtic Name: 1-(4-bromophenyl)-4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-(4-bromophenyl)-4-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(4-bromophenyl)-4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-bromophenyl)-4-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C20H20BrN3OS2 MolecularWeight: 462.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCCCC(=O)C3=CC=C(C=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C20H20BrN3OS2/c21-15-7-5-14(6-8-15)18(25)4-2-12-27-20-23-22-19(24(20)16-9-10-16)13-17-3-1-11-26-17/h1,3,5-8,11,16H,2,4,9-10,12-13H2