1-[4-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C17H23N5O2S/c1-13(23)21-10-8-20(9-11-21)12-22-17(25)19(2)16(18-22)14-4-6-15(24-3)7-5-14/h4-7H,8-12H2,1-3H3/p+1