[6-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]naphthalen-2-yl] heptanoate

Systemtic Name: [6-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]naphthalen-2-yl] heptanoate Openeye Name: [6-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthyl] heptanoate CAS Name: heptanoic acid [6-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalenyl] ester IUPAC Name: [6-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]naphthalen-2-yl] heptanoate Traditional Name: enanthic acid [6-[5-(4-hexylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthyl] ester Formula: C31H36N2O2S MolecularWeight: 500.69474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC4=C(C=C3)C=C(C=C4)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC4=C(C=C3)C=C(C=C4)OC(=O)CCCCCC

InChI

InChI=1S/C31H36N2O2S/c1-3-5-7-9-11-23-13-15-24(16-14-23)30-32-33-31(36-30)27-18-17-26-22-28(20-19-25(26)21-27)35-29(34)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3