2-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[[4-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[[4-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C19H27N6O2S+ MolecularWeight: 403.52168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=NN(C2=S)CN3CC[NH+](CC3)CC(=O)NCC=C

Isomeric SMILES

COC1=CC=CC=C1N2C=NN(C2=S)CN3CC[NH+](CC3)CC(=O)NCC=C

InChI

InChI=1S/C19H26N6O2S/c1-3-8-20-18(26)13-22-9-11-23(12-10-22)15-25-19(28)24(14-21-25)16-6-4-5-7-17(16)27-2/h3-7,14H,1,8-13,15H2,2H3,(H,20,26)/p+1