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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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