2-hexyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-hexyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole Openeye Name: 2-hexyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole CAS Name: 2-hexyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole IUPAC Name: 2-hexyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole Traditional Name: 2-hexyl-5-(4-octoxyphenyl)-1,3,4-thiadiazole Formula: C22H34N2OS MolecularWeight: 374.58316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)CCCCCC

InChI

InChI=1S/C22H34N2OS/c1-3-5-7-9-10-12-18-25-20-16-14-19(15-17-20)22-24-23-21(26-22)13-11-8-6-4-2/h14-17H,3-13,18H2,1-2H3