(3S)-3,5-bis(4-bromophenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-3,5-bis(4-bromophenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-3,5-bis(4-bromophenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-3,5-bis(4-bromophenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-3,5-bis(4-bromophenyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3,5-bis(4-bromophenyl)-N-phenyl-3-pyrazoline-1-carbothioamide Formula: C22H17Br2N3S MolecularWeight: 515.26348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)N2C(C=C(N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N2[C@@H](C=C(N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17Br2N3S/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h1-14,21,26H,(H,25,28)/t21-/m0/s1