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

Systemtic Name: 2-[4-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-methyl-5-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[4-methyl-5-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H24N6O2S/c1-22-8-10-24(11-9-22)17(26)13-27-18-21-20-15(23(18)2)12-16(25)19-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,19,25)/p+1