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

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(4-propoxyphenyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 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 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 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 benzotriazol-1-yl ester Formula: C30H23N5O3S MolecularWeight: 533.60032

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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)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C30H23N5O3S/c1-2-19-37-25-17-15-21(16-18-25)20-7-9-22(10-8-20)28-32-33-29(39-28)23-11-13-24(14-12-23)30(36)38-35-27-6-4-3-5-26(27)31-34-35/h3-18H,2,19H2,1H3