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

Systemtic Name: 2-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H30N5O4S2+ MolecularWeight: 468.6133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)CC=C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)CC=C)OCC

InChI

InChI=1S/C20H29N5O4S2/c1-4-9-23-15-21-25(20(23)30)16-22-10-12-24(13-11-22)31(26,27)17-7-8-18(28-5-2)19(14-17)29-6-3/h4,7-8,14-15H,1,5-6,9-13,16H2,2-3H3/p+1