[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]-[4-(phenylmethyl)piperidin-1-yl]methanethione

Systemtic Name: [5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]-[4-(phenylmethyl)piperidin-1-yl]methanethione Openeye Name: (4-benzyl-1-piperidyl)-[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]methanethione CAS Name: [5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]-[4-(phenylmethyl)-1-piperidinyl]methanethione IUPAC Name: (4-benzylpiperidin-1-yl)-[5-(3-bromophenyl)-3,4-dihydropyrazol-2-yl]methanethione Traditional Name: (4-benzylpiperidino)-[3-(3-bromophenyl)-2-pyrazolin-1-yl]methanethione Formula: C22H24BrN3S MolecularWeight: 442.41506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=S)N3CCC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=S)N3CCC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H24BrN3S/c23-20-8-4-7-19(16-20)21-11-14-26(24-21)22(27)25-12-9-18(10-13-25)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2