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

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3S/c1-11-16-15(18-17-11)25-10-14(22)20-8-6-19(7-9-20)12-4-2-3-5-13(12)21(23)24/h2-5H,6-10H2,1H3,(H,16,17,18)