(3S)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-N-(4-morpholinosulfonylphenyl)-3,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide CAS Name: (3S)-N-[4-(4-morpholinylsulfonyl)phenyl]-3,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-N-(4-morpholin-4-ylsulfonylphenyl)-3,5-diphenyl-1,3-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-N-(4-morpholinosulfonylphenyl)-3,5-diphenyl-3-pyrazoline-1-carbothioamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3C(C=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3[C@@H](C=C(N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S2/c31-35(32,29-15-17-33-18-16-29)23-13-11-22(12-14-23)27-26(34)30-25(21-9-5-2-6-10-21)19-24(28-30)20-7-3-1-4-8-20/h1-14,19,25,28H,15-18H2,(H,27,34)/t25-/m0/s1