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

Systemtic Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N6O3S/c1-16-4-3-5-20(14-16)27-17(2)23-24-22(27)32-15-21(29)26-12-10-25(11-13-26)18-6-8-19(9-7-18)28(30)31/h3-9,14H,10-13,15H2,1-2H3