benzotriazol-1-yl 4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Openeye Name: benzotriazol-1-yl 4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylate CAS Name: 4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]-1-cyclohexanecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxylate Traditional Name: 4-[5-[4-(6-methoxyhexoxy)phenyl]-1,3,4-thiadiazol-2-yl]cyclohexanecarboxylic acid benzotriazol-1-yl ester Formula: C28H33N5O4S MolecularWeight: 535.65772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3CCC(CC3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

COCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3CCC(CC3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H33N5O4S/c1-35-18-6-2-3-7-19-36-23-16-14-21(15-17-23)27-31-30-26(38-27)20-10-12-22(13-11-20)28(34)37-33-25-9-5-4-8-24(25)29-32-33/h4-5,8-9,14-17,20,22H,2-3,6-7,10-13,18-19H2,1H3