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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

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