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

Systemtic Name: 5-(3-bromophenyl)-N-(furan-2-ylmethyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-N-(2-furylmethyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-N-(2-furanylmethyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-N-(furan-2-ylmethyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-N-(2-furfuryl)-2-pyrazoline-1-carbothioamide Formula: C15H14BrN3OS MolecularWeight: 364.26016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC(=CC=C2)Br)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(N=C1C2=CC(=CC=C2)Br)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C15H14BrN3OS/c16-12-4-1-3-11(9-12)14-6-7-19(18-14)15(21)17-10-13-5-2-8-20-13/h1-5,8-9H,6-7,10H2,(H,17,21)