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

Systemtic Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-mesyl-1,4-diazepan-1-ium-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C17H27N6O2S2+ MolecularWeight: 411.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CCCN(CC2)S(=O)(=O)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CCCN(CC2)S(=O)(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C17H26N6O2S2/c1-3-9-22-16(15-5-7-18-8-6-15)19-23(17(22)26)14-20-10-4-11-21(13-12-20)27(2,24)25/h5-8H,3-4,9-14H2,1-2H3/p+1