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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

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