2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H28N7S2+ MolecularWeight: 430.61322

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CSC(=N3)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CSC(=N3)C)C4=CC=NC=C4

InChI

InChI=1S/C20H27N7S2/c1-3-8-26-19(17-4-6-21-7-5-17)23-27(20(26)28)15-25-11-9-24(10-12-25)13-18-14-29-16(2)22-18/h4-7,14H,3,8-13,15H2,1-2H3/p+1