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

Systemtic Name: 4-prop-2-enyl-3-pyridin-3-yl-4-[(2-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 4-allyl-3-(3-pyridyl)-4-[(2-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 4-prop-2-enyl-3-(3-pyridinyl)-4-[[2-(2-pyrimidinyl)-1-piperazinyl]methyl]-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 4-prop-2-enyl-3-pyridin-3-yl-4-[(2-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 4-allyl-3-(3-pyridyl)-4-[[2-(2-pyrimidyl)piperazino]methyl]-1H-1,2,4-triazol-4-ium-5-thione Formula: C19H23N8S+ MolecularWeight: 395.50452

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(C(=NNC1=S)C2=CN=CC=C2)CN3CCNCC3C4=NC=CC=N4

Isomeric SMILES

C=CC[N+]1(C(=NNC1=S)C2=CN=CC=C2)CN3CCNCC3C4=NC=CC=N4

InChI

InChI=1S/C19H22N8S/c1-2-11-27(18(24-25-19(27)28)15-5-3-6-20-12-15)14-26-10-9-21-13-16(26)17-22-7-4-8-23-17/h2-8,12,16,21H,1,9-11,13-14H2/p+1