5-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-mesylpiperazin-1-ium-1-yl)methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C15H22N5O2S2+ MolecularWeight: 368.49748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C15H21N5O2S2/c1-13-16-19(15(23)20(13)14-6-4-3-5-7-14)12-17-8-10-18(11-9-17)24(2,21)22/h3-7H,8-12H2,1-2H3/p+1