4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-(dimethylamino)benzoate

Systemtic Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-(dimethylamino)benzoate Openeye Name: 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H21N3O3S/c1-28(2)20-14-12-19(13-15-20)24(29)30-16-5-6-17-32-25-27-26-23(31-25)22-11-7-9-18-8-3-4-10-21(18)22/h3-4,7-15H,16-17H2,1-2H3