5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-phenyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-phenyl-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C19H23N6S+ MolecularWeight: 367.49112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H22N6S/c1-16-21-24(19(26)25(16)17-7-3-2-4-8-17)15-22-11-13-23(14-12-22)18-9-5-6-10-20-18/h2-10H,11-15H2,1H3/p+1