4-prop-2-enyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-prop-2-enyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-prop-2-enyl-2-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-prop-2-enyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H28N5O2S2+ MolecularWeight: 422.58792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)CC=C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)CC=C)C

InChI

InChI=1S/C19H27N5O2S2/c1-5-6-22-13-20-24(19(22)27)14-21-7-9-23(10-8-21)28(25,26)18-16(3)11-15(2)12-17(18)4/h5,11-13H,1,6-10,14H2,2-4H3/p+1