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

Systemtic Name: 5-tert-butyl-2-[[(5-chloranylthiophen-2-yl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-tert-butyl-2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-tert-butyl-2-[[(5-chloro-2-thiophenyl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-tert-butyl-2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-tert-butyl-2-[[(5-chloro-2-thienyl)methyl-methyl-amino]methyl]-1H-1,2,4-triazole-3-thione Formula: C13H19ClN4S2 MolecularWeight: 330.89976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=CC=C(S2)Cl

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C13H19ClN4S2/c1-13(2,3)11-15-12(19)18(16-11)8-17(4)7-9-5-6-10(14)20-9/h5-6H,7-8H2,1-4H3,(H,15,16,19)