2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(2-phenoxyethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-phenoxyethyl)piperazino]ethanone Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)CCOC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H25N5O2S2/c1-24-20(18-8-5-15-29-18)22-23-21(24)30-16-19(27)26-11-9-25(10-12-26)13-14-28-17-6-3-2-4-7-17/h2-8,15H,9-14,16H2,1H3