5-(3-bromophenyl)-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(3-bromophenyl)-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-5-mesityl-2-pyrazoline-1-carbothioamide Formula: C19H20BrN3S MolecularWeight: 402.3512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2CC(=NN2C(=S)N)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2CC(=NN2C(=S)N)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C19H20BrN3S/c1-11-7-12(2)18(13(3)8-11)17-10-16(22-23(17)19(21)24)14-5-4-6-15(20)9-14/h4-9,17H,10H2,1-3H3,(H2,21,24)