5-[(E)-2-phenylethenyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-[(E)-2-phenylethenyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-5-[(E)-styryl]-1H-1,2,4-triazole-3-thione CAS Name: 5-[(E)-2-phenylethenyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-[(E)-2-phenylethenyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-5-[(E)-styryl]-1H-1,2,4-triazole-3-thione Formula: C19H22N7S+ MolecularWeight: 380.48988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C=CC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N=C(N2)/C=C/C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C19H21N7S/c27-19-22-17(8-7-16-5-2-1-3-6-16)23-26(19)15-24-11-13-25(14-12-24)18-20-9-4-10-21-18/h1-10H,11-15H2,(H,22,23,27)/p+1/b8-7+