2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C24H27N5O3S2 MolecularWeight: 497.63288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C24H27N5O3S2/c1-18(33-24-26-25-22(19-12-13-19)29(24)20-8-4-2-5-9-20)23(30)27-14-16-28(17-15-27)34(31,32)21-10-6-3-7-11-21/h2-11,18-19H,12-17H2,1H3