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

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H22N6O3S2/c1-2-25-19(17-8-5-13-30-17)21-22-20(25)31-14-18(27)24-11-9-23(10-12-24)15-6-3-4-7-16(15)26(28)29/h3-8,13H,2,9-12,14H2,1H3