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

Systemtic Name: 4-prop-2-enyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-prop-2-enyl-2-[[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-prop-2-enyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-propylphenyl)sulfonylpiperazin-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:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)CC=C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)CC=C

InChI

InChI=1S/C19H27N5O2S2/c1-3-5-17-6-8-18(9-7-17)28(25,26)23-13-11-21(12-14-23)16-24-19(27)22(10-4-2)15-20-24/h4,6-9,15H,2-3,5,10-14,16H2,1H3/p+1