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

Systemtic Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-17-7-6-8-18(15-17)21-23-24-22(25(21)2)29-16-20(28)27-13-11-26(12-14-27)19-9-4-3-5-10-19/h3-10,15H,11-14,16H2,1-2H3