methyl 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H22N2O3S/c1-3-16-30-22-14-12-18(13-15-22)17-4-6-19(7-5-17)23-26-27-24(31-23)20-8-10-21(11-9-20)25(28)29-2/h4-15H,3,16H2,1-2H3