2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(5-bromo-2-thiophenyl)methyl-ethylamino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(5-bromothiophen-2-yl)methyl-ethylamino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C16H17BrN4S2 MolecularWeight: 409.36698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CN2C(=S)N=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CN2C(=S)N=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C16H17BrN4S2/c1-2-20(10-13-8-9-14(17)23-13)11-21-16(22)18-15(19-21)12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H,18,19,22)