5-(3-bromophenyl)-N-(2-morpholin-4-ylethyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(3-bromophenyl)-N-(2-morpholin-4-ylethyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-N-(2-morpholinoethyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-N-[2-(4-morpholinyl)ethyl]-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-N-(2-morpholin-4-ylethyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-N-(2-morpholinoethyl)-2-pyrazoline-1-carbothioamide Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC(=CC=C2)Br)C(=S)NCCN3CCOCC3

Isomeric SMILES

C1CN(N=C1C2=CC(=CC=C2)Br)C(=S)NCCN3CCOCC3

InChI

InChI=1S/C16H21BrN4OS/c17-14-3-1-2-13(12-14)15-4-6-21(19-15)16(23)18-5-7-20-8-10-22-11-9-20/h1-3,12H,4-11H2,(H,18,23)