(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: (3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3-(4-methoxyphenyl)-5-phenyl-2-pyrazoline-1-carbothioamide Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CC=C3)C(=S)N

InChI

InChI=1S/C17H17N3OS/c1-21-14-9-7-12(8-10-14)15-11-16(20(19-15)17(18)22)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,22)/t16-/m0/s1