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

Systemtic Name: 5-methyl-4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-prop-2-enyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-prop-2-enyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-methyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C15H22N7S+ MolecularWeight: 332.44708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H21N7S/c1-3-7-21-13(2)18-22(15(21)23)12-19-8-10-20(11-9-19)14-16-5-4-6-17-14/h3-6H,1,7-12H2,2H3/p+1