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

Systemtic Name: 5-(3-bromophenyl)-N-hexyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-N-hexyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-N-hexyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-N-hexyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-N-hexyl-2-pyrazoline-1-carbothioamide Formula: C16H22BrN3S MolecularWeight: 368.33498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N1CCC(=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCCCCNC(=S)N1CCC(=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H22BrN3S/c1-2-3-4-5-10-18-16(21)20-11-9-15(19-20)13-7-6-8-14(17)12-13/h6-8,12H,2-5,9-11H2,1H3,(H,18,21)