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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-(4-acetylpiperazino)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-13-4-3-5-15(12-13)17-19-20-18(26)23(17)7-6-16(25)22-10-8-21(9-11-22)14(2)24/h3-5,12H,6-11H2,1-2H3,(H,20,26)