(2S)-2-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole

Systemtic Name: (2S)-2-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole Openeye Name: (2S)-2-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole CAS Name: (2S)-2-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole IUPAC Name: (2S)-2-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole Traditional Name: (2S)-2-(4-benzoxy-3-bromo-5-ethoxy-phenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2NN=C(S2)C3=CC=CC=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2NN=C(S2)C3=CC=CC=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21BrN2O2S/c1-2-27-20-14-18(23-26-25-22(29-23)17-11-7-4-8-12-17)13-19(24)21(20)28-15-16-9-5-3-6-10-16/h3-14,23,26H,2,15H2,1H3/t23-/m0/s1