5-tert-butyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-tert-butyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[cyclopropyl(p-anisyl)amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C18H26N4OS/c1-18(2,3)16-19-17(24)22(20-16)12-21(14-7-8-14)11-13-5-9-15(23-4)10-6-13/h5-6,9-10,14H,7-8,11-12H2,1-4H3,(H,19,20,24)