2-methyl-1-[4-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[[4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[[4-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[[4-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]propan-1-one Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCN(CC3)C(=O)C(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCN(CC3)C(=O)C(C)C

InChI

InChI=1S/C18H25N5OS/c1-14(2)17(24)21-10-8-20(9-11-21)13-23-18(25)22(12-19-23)16-7-5-4-6-15(16)3/h4-7,12,14H,8-11,13H2,1-3H3/p+1