5-(4-tert-butylphenyl)-4-cyclopentyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-tert-butylphenyl)-4-cyclopentyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-tert-butylphenyl)-4-cyclopentyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-tert-butylphenyl)-4-cyclopentyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-tert-butylphenyl)-4-cyclopentyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-tert-butylphenyl)-4-cyclopentyl-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C24H38N5S+ MolecularWeight: 428.65702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3CCCC3)CN4CCC[NH+](CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3CCCC3)CN4CCC[NH+](CC4)C

InChI

InChI=1S/C24H37N5S/c1-24(2,3)20-12-10-19(11-13-20)22-25-28(18-27-15-7-14-26(4)16-17-27)23(30)29(22)21-8-5-6-9-21/h10-13,21H,5-9,14-18H2,1-4H3/p+1