1-(4-ethylpiperazin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-ethylpiperazino)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C24H31N5OS2 MolecularWeight: 469.66584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C24H31N5OS2/c1-3-27-13-15-28(16-14-27)23(30)19(2)32-24-26-25-22(18-21-10-7-17-31-21)29(24)12-11-20-8-5-4-6-9-20/h4-10,17,19H,3,11-16,18H2,1-2H3