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

Systemtic Name: 4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methylbenzoate Openeye Name: 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methylbenzoate CAS Name: 4-methylbenzoic 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-methylbenzoate Traditional Name: 4-methylbenzoic acid 4-[[5-(1-naphthyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C24H18N2O3S MolecularWeight: 414.47632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H18N2O3S/c1-17-11-13-19(14-12-17)23(27)28-15-4-5-16-30-24-26-25-22(29-24)21-10-6-8-18-7-2-3-9-20(18)21/h2-3,6-14H,15-16H2,1H3