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

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-cyclohexyl-1-piperazinyl)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(4-cyclohexylpiperazino)phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C31H31N7O2S MolecularWeight: 565.68854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=NN=C(S4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

InChI

InChI=1S/C31H31N7O2S/c39-31(40-38-28-9-5-4-8-27(28)32-35-38)24-12-10-22(11-13-24)29-33-34-30(41-29)23-14-16-26(17-15-23)37-20-18-36(19-21-37)25-6-2-1-3-7-25/h4-5,8-17,25H,1-3,6-7,18-21H2