2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H26N6O3S2 MolecularWeight: 498.62094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C23H26N6O3S2/c30-21(27-11-13-28(14-12-27)34(31,32)17-18-5-2-1-3-6-18)16-33-23-26-25-22(29(23)20-8-9-20)19-7-4-10-24-15-19/h1-7,10,15,20H,8-9,11-14,16-17H2