N-[[4-ethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-ethyl-5-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-ethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-ethyl-5-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H28N6O2S/c1-4-26-17(13-21-19(28)16-7-5-6-15(2)12-16)22-23-20(26)29-14-18(27)25-10-8-24(3)9-11-25/h5-7,12H,4,8-11,13-14H2,1-3H3,(H,21,28)