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

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3S/c1-13(2)22-12-18-19-17(22)27-11-16(24)21-9-7-20(8-10-21)14-5-3-4-6-15(14)23(25)26/h3-6,12-13H,7-11H2,1-2H3