2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H25N5OS/c1-4-9-22-15(2)19-23(18(22)25)14-20-10-12-21(13-11-20)16-5-7-17(24-3)8-6-16/h4-8H,1,9-14H2,2-3H3/p+1