benzotriazol-1-yl 5-[5-[4-(4-pentoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxylate

Systemtic Name: benzotriazol-1-yl 5-[5-[4-(4-pentoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxylate Openeye Name: benzotriazol-1-yl 5-[5-[4-(4-pentoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxylate CAS Name: 5-[5-[4-(4-pentoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-thiophenecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 5-[5-[4-(4-pentoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxylate Traditional Name: 5-[5-[4-(4-amoxyphenyl)phenyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxylic acid benzotriazol-1-yl ester Formula: C30H25N5O4S MolecularWeight: 551.6156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(S4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(O3)C4=CC=C(S4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C30H25N5O4S/c1-2-3-6-19-37-23-15-13-21(14-16-23)20-9-11-22(12-10-20)28-32-33-29(38-28)26-17-18-27(40-26)30(36)39-35-25-8-5-4-7-24(25)31-34-35/h4-5,7-18H,2-3,6,19H2,1H3