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

Systemtic Name: 5-(3-methylphenyl)-4-propyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(m-tolyl)-4-propyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-methylphenyl)-4-propyl-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-methylphenyl)-4-propyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(m-tolyl)-4-propyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C22H30N6S+2 MolecularWeight: 410.5788

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H28N6S/c1-3-11-27-21(19-6-4-5-18(2)16-19)24-28(22(27)29)17-25-12-14-26(15-13-25)20-7-9-23-10-8-20/h4-10,16H,3,11-15,17H2,1-2H3/p+2