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

Systemtic Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-phenylpiperazino)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-17-7-9-18(10-8-17)21-23-24-22(29)27(21)12-11-20(28)26-15-13-25(14-16-26)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,24,29)