2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S/c1-18-7-6-17-16(18)25-12-15(22)20-10-8-19(9-11-20)13-2-4-14(5-3-13)21(23)24/h2-7H,8-12H2,1H3