1-(4-ethylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-ethylpiperazino)-2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CS4

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CS4

InChI

InChI=1S/C21H25N5O2S2/c1-3-24-10-12-25(13-11-24)19(27)15-30-21-23-22-20(18-5-4-14-29-18)26(21)16-6-8-17(28-2)9-7-16/h4-9,14H,3,10-13,15H2,1-2H3