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

Systemtic Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3S/c1-24-20(16-6-5-9-18(14-16)27(29)30)22-23-21(24)31-15-19(28)26-12-10-25(11-13-26)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3