1,3,4-thiadiazol-2-yl 4-(4-ethylcyclohexyl)-3-piperazin-1-yl-2-pyridin-3-yl-benzoate

Systemtic Name: 1,3,4-thiadiazol-2-yl 4-(4-ethylcyclohexyl)-3-piperazin-1-yl-2-pyridin-3-yl-benzoate Openeye Name: 1,3,4-thiadiazol-2-yl 4-(4-ethylcyclohexyl)-3-piperazin-1-yl-2-(3-pyridyl)benzoate CAS Name: 4-(4-ethylcyclohexyl)-3-(1-piperazinyl)-2-(3-pyridinyl)benzoic acid 1,3,4-thiadiazol-2-yl ester IUPAC Name: 1,3,4-thiadiazol-2-yl 4-(4-ethylcyclohexyl)-3-piperazin-1-yl-2-pyridin-3-ylbenzoate Traditional Name: 4-(4-ethylcyclohexyl)-3-piperazino-2-(3-pyridyl)benzoic acid 1,3,4-thiadiazol-2-yl ester Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CN=CC=C4)N5CCNCC5

Isomeric SMILES

CCC1CCC(CC1)C2=C(C(=C(C=C2)C(=O)OC3=NN=CS3)C4=CN=CC=C4)N5CCNCC5

InChI

InChI=1S/C26H31N5O2S/c1-2-18-5-7-19(8-6-18)21-9-10-22(25(32)33-26-30-29-17-34-26)23(20-4-3-11-28-16-20)24(21)31-14-12-27-13-15-31/h3-4,9-11,16-19,27H,2,5-8,12-15H2,1H3