4-cyclopentyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopentyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclopentyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopentyl-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-5-[3-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopentyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclopentyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-(3-morpholinosulfonylphenyl)-1,2,4-triazole-3-thione Formula: C23H35N6O3S2+ MolecularWeight: 507.6924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5CCCC5

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5CCCC5

InChI

InChI=1S/C23H34N6O3S2/c1-25-9-11-26(12-10-25)18-28-23(33)29(20-6-2-3-7-20)22(24-28)19-5-4-8-21(17-19)34(30,31)27-13-15-32-16-14-27/h4-5,8,17,20H,2-3,6-7,9-16,18H2,1H3/p+1