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

Systemtic Name: benzotriazol-1-yl 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[4-(cyclohexoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(cyclohexoxy)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C27H23N5O3S MolecularWeight: 497.56822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)OC2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C27H23N5O3S/c33-27(35-32-24-9-5-4-8-23(24)28-31-32)20-12-10-18(11-13-20)25-29-30-26(36-25)19-14-16-22(17-15-19)34-21-6-2-1-3-7-21/h4-5,8-17,21H,1-3,6-7H2