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

Systemtic Name: (3S)-5-(4-bromophenyl)-3-(furan-2-yl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-5-(4-bromophenyl)-3-(2-furyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-5-(4-bromophenyl)-3-(2-furanyl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-5-(4-bromophenyl)-3-(furan-2-yl)-N-phenyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3-(4-bromophenyl)-5-(2-furyl)-N-phenyl-3-pyrazoline-1-carbothioamide Formula: C20H16BrN3OS MolecularWeight: 426.32954

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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=CO4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N2[C@@H](C=C(N2)C3=CC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C20H16BrN3OS/c21-15-10-8-14(9-11-15)17-13-18(19-7-4-12-25-19)24(23-17)20(26)22-16-5-2-1-3-6-16/h1-13,18,23H,(H,22,26)/t18-/m0/s1