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

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O3S/c26-17(13-29-19-20-18(21-22-19)14-5-1-2-6-14)24-11-9-23(10-12-24)15-7-3-4-8-16(15)25(27)28/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,20,21,22)