3-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-[3-(5-bromanylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-N-phenyl-5-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-[3-(5-bromo-2-thiophenyl)-1-phenyl-4-pyrazolyl]-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-[3-(5-bromothiophen-2-yl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-[3-(5-bromo-2-thienyl)-1-phenyl-pyrazol-4-yl]-N-phenyl-3-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C30H24BrN5S2 MolecularWeight: 598.57906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=C(S4)Br)C5=CC=CC=C5)C(=S)NC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=C(S4)Br)C5=CC=CC=C5)C(=S)NC6=CC=CC=C6

InChI

InChI=1S/C30H24BrN5S2/c1-20-12-14-21(15-13-20)25-18-26(36(33-25)30(37)32-22-8-4-2-5-9-22)24-19-35(23-10-6-3-7-11-23)34-29(24)27-16-17-28(31)38-27/h2-17,19,26H,18H2,1H3,(H,32,37)