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

Systemtic Name: 2-[[(4-bromophenyl)methyl-cyclopropyl-amino]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(4-bromophenyl)methyl-cyclopropyl-amino]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(4-bromobenzyl)-cyclopropyl-amino]methyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thione Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(CC2=CC=C(C=C2)Br)C3CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN(C1=S)CN(CC2=CC=C(C=C2)Br)C3CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23BrN4OS/c1-24-20(16-5-11-19(27-2)12-6-16)23-26(21(24)28)14-25(18-9-10-18)13-15-3-7-17(22)8-4-15/h3-8,11-12,18H,9-10,13-14H2,1-2H3