2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-5-(2-furyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-(2-furanyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-bromobenzyl)-methyl-amino]methyl]-5-(2-furyl)-4-methyl-1,2,4-triazole-3-thione Formula: C16H17BrN4OS MolecularWeight: 393.30138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)Br)C3=CC=CO3

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)Br)C3=CC=CO3

InChI

InChI=1S/C16H17BrN4OS/c1-19(10-12-5-7-13(17)8-6-12)11-21-16(23)20(2)15(18-21)14-4-3-9-22-14/h3-9H,10-11H2,1-2H3