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

Systemtic Name: 2-(4-octylphenyl)-5-pentoxy-1,3,4-thiadiazole Openeye Name: 2-(4-octylphenyl)-5-pentoxy-1,3,4-thiadiazole CAS Name: 2-(4-octylphenyl)-5-pentoxy-1,3,4-thiadiazole IUPAC Name: 2-(4-octylphenyl)-5-pentoxy-1,3,4-thiadiazole Traditional Name: 2-amoxy-5-(4-octylphenyl)-1,3,4-thiadiazole Formula: C21H32N2OS MolecularWeight: 360.55658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2OS/c1-3-5-7-8-9-10-12-18-13-15-19(16-14-18)20-22-23-21(25-20)24-17-11-6-4-2/h13-16H,3-12,17H2,1-2H3