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

Systemtic Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c1-16-7-9-17(10-8-16)20-22-21(24-23-20)28-15-19(27)26-13-11-25(12-14-26)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,22,23,24)