4-cyclopropyl-5-methyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-methyl-2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-methyl-2-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-4-cyclopropyl-5-methyl-1,2,4-triazole-3-thione Formula: C18H26N5O2S2+ MolecularWeight: 408.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C18H25N5O2S2/c1-15-19-22(18(26)23(15)17-7-8-17)14-20-9-11-21(12-10-20)27(24,25)13-16-5-3-2-4-6-16/h2-6,17H,7-14H2,1H3/p+1