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

Systemtic Name: 2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[(4-bromophenyl)methyl-methyl-amino]methyl]-5-morpholino-1,2,4-triazole-3-thione CAS Name: 2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[(4-bromophenyl)methyl-methylamino]methyl]-5-morpholin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[(4-bromobenzyl)-methyl-amino]methyl]-5-morpholino-1,2,4-triazole-3-thione Formula: C22H26BrN5OS MolecularWeight: 488.44374

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)CN2C(=S)N(C(=N2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)CN2C(=S)N(C(=N2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26BrN5OS/c1-25(15-19-7-9-20(23)10-8-19)17-28-22(30)27(16-18-5-3-2-4-6-18)21(24-28)26-11-13-29-14-12-26/h2-10H,11-17H2,1H3