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

Systemtic Name: 2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(5-bromo-2-thiophenyl)methyl-ethylamino]methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(5-bromothiophen-2-yl)methyl-ethylamino]methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-(2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C18H21BrN4OS2 MolecularWeight: 453.41954

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CN2C(=S)N(C(=N2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C18H21BrN4OS2/c1-4-22(11-13-9-10-16(19)26-13)12-23-18(25)21(2)17(20-23)14-7-5-6-8-15(14)24-3/h5-10H,4,11-12H2,1-3H3