[2-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]phenyl] nonanoate

Systemtic Name: [2-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]phenyl] nonanoate Openeye Name: [2-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]phenyl] nonanoate CAS Name: nonanoic acid [2-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]phenyl] ester IUPAC Name: [2-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]phenyl] nonanoate Traditional Name: pelargonic acid [2-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]phenyl] ester Formula: C29H38N2O2S MolecularWeight: 478.68922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=CC=C1C2=NN=C(S2)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=CC=C1C2=NN=C(S2)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C29H38N2O2S/c1-3-5-7-9-10-12-18-27(32)33-26-17-14-13-16-25(26)29-31-30-28(34-29)24-21-19-23(20-22-24)15-11-8-6-4-2/h13-14,16-17,19-22H,3-12,15,18H2,1-2H3