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

Systemtic Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(4-isopropylpiperazin-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-propan-2-yl-1-piperazinyl)ethanone IUPAC Name: 2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-(4-isopropylpiperazino)-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5OS/c1-13(2)21-8-10-22(11-9-21)16(24)12-23-17(19-20-18(23)25)15-6-4-14(3)5-7-15/h4-7,13H,8-12H2,1-3H3,(H,20,25)