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

Systemtic Name: 5-(2-methylfuran-3-yl)-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-(2-methyl-3-furyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methyl-3-furanyl)-4-prop-2-enyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methylfuran-3-yl)-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-(2-methyl-3-furyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H24N7OS+ MolecularWeight: 398.50516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2CC=C)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N7OS/c1-3-8-25-17(16-5-13-27-15(16)2)22-26(19(25)28)14-23-9-11-24(12-10-23)18-20-6-4-7-21-18/h3-7,13H,1,8-12,14H2,2H3/p+1