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

Systemtic Name: benzotriazol-1-yl 4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-(1-octyl-4-piperidyl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(1-octyl-4-piperidinyl)-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-(1-octylpiperidin-4-yl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(1-octyl-4-piperidyl)-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C28H34N6O2S MolecularWeight: 518.67356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

Isomeric SMILES

CCCCCCCCN1CCC(CC1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)ON4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H34N6O2S/c1-2-3-4-5-6-9-18-33-19-16-22(17-20-33)27-31-30-26(37-27)21-12-14-23(15-13-21)28(35)36-34-25-11-8-7-10-24(25)29-32-34/h7-8,10-15,22H,2-6,9,16-20H2,1H3