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

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H25N5O3S3 MolecularWeight: 491.6499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H25N5O3S3/c1-2-26-20(18-9-6-14-30-18)22-23-21(26)31-15-19(27)24-10-12-25(13-11-24)32(28,29)16-17-7-4-3-5-8-17/h3-9,14H,2,10-13,15-16H2,1H3