5-(3-bromophenyl)-3-(2-ethylphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(3-bromophenyl)-3-(2-ethylphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 5-(3-bromophenyl)-3-(2-ethylphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(3-bromophenyl)-3-(2-ethylphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(3-bromophenyl)-3-(2-ethylphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3-(3-bromophenyl)-5-(2-ethylphenyl)-2-pyrazoline-1-carbothioamide Formula: C18H18BrN3S MolecularWeight: 388.32462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2CC(=NN2C(=S)N)C3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=CC=C1C2CC(=NN2C(=S)N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3S/c1-2-12-6-3-4-9-15(12)17-11-16(21-22(17)18(20)23)13-7-5-8-14(19)10-13/h3-10,17H,2,11H2,1H3,(H2,20,23)