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

Systemtic Name: 5-(3-bromophenyl)-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(3-bromophenyl)-4-phenyl-2-[(4-phenyl-1-piperidyl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(3-bromophenyl)-4-phenyl-2-[(4-phenyl-1-piperidinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(3-bromophenyl)-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(3-bromophenyl)-4-phenyl-2-[(4-phenylpiperidino)methyl]-1,2,4-triazole-3-thione Formula: C26H25BrN4S MolecularWeight: 505.4725

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC(=CC=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H25BrN4S/c27-23-11-7-10-22(18-23)25-28-30(26(32)31(25)24-12-5-2-6-13-24)19-29-16-14-21(15-17-29)20-8-3-1-4-9-20/h1-13,18,21H,14-17,19H2