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

Systemtic Name: 2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(4-nitrophenyl)carbonyl-piperazin-1-yl]ethanone Openeye Name: 2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-(4-nitrobenzoyl)piperazino]ethanone Formula: C27H26N6O5S MolecularWeight: 546.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CO5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CO5

InChI

InChI=1S/C27H26N6O5S/c1-18-5-9-21(10-6-18)32-25(23-4-3-15-38-23)28-29-27(32)39-17-24(34)30-13-14-31(19(2)16-30)26(35)20-7-11-22(12-8-20)33(36)37/h3-12,15,19H,13-14,16-17H2,1-2H3