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

Systemtic Name: 5-phenyl-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-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-phenyl-4-prop-2-enyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-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-phenyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H24N7S+ MolecularWeight: 394.51646

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N7S/c1-2-11-26-18(17-7-4-3-5-8-17)23-27(20(26)28)16-24-12-14-25(15-13-24)19-21-9-6-10-22-19/h2-10H,1,11-16H2/p+1