5-tert-butyl-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[4-(2-phenoxyethyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C19H29N5OS MolecularWeight: 375.53146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C19H29N5OS/c1-19(2,3)17-20-18(26)24(21-17)15-23-11-9-22(10-12-23)13-14-25-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,20,21,26)