2-heptoxy-5-(4-octylphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-heptoxy-5-(4-octylphenyl)-1,3,4-thiadiazole Openeye Name: 2-heptoxy-5-(4-octylphenyl)-1,3,4-thiadiazole CAS Name: 2-heptoxy-5-(4-octylphenyl)-1,3,4-thiadiazole IUPAC Name: 2-heptoxy-5-(4-octylphenyl)-1,3,4-thiadiazole Traditional Name: 2-heptoxy-5-(4-octylphenyl)-1,3,4-thiadiazole Formula: C23H36N2OS MolecularWeight: 388.60974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)OCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(S2)OCCCCCCC

InChI

InChI=1S/C23H36N2OS/c1-3-5-7-9-10-12-14-20-15-17-21(18-16-20)22-24-25-23(27-22)26-19-13-11-8-6-4-2/h15-18H,3-14,19H2,1-2H3