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

Systemtic Name: 5-(3-bromophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(3-bromophenyl)-2-[(4-methyl-1-piperidyl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(3-bromophenyl)-2-[(4-methyl-1-piperidinyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(3-bromophenyl)-2-[(4-methylpiperidin-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(3-bromophenyl)-2-[(4-methylpiperidino)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H23BrN4S MolecularWeight: 443.40312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC(=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H23BrN4S/c1-16-10-12-24(13-11-16)15-25-21(27)26(19-8-3-2-4-9-19)20(23-25)17-6-5-7-18(22)14-17/h2-9,14,16H,10-13,15H2,1H3