2-(4-decoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole

Systemtic Name: 2-(4-decoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole Openeye Name: 2-(4-decoxyphenyl)-5-(4-isohexylphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-decoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole IUPAC Name: 2-(4-decoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole Traditional Name: 2-(4-decoxyphenyl)-5-(4-isohexylphenyl)-1,3,4-thiadiazole Formula: C30H42N2OS MolecularWeight: 478.73228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCC(C)C

InChI

InChI=1S/C30H42N2OS/c1-4-5-6-7-8-9-10-11-23-33-28-21-19-27(20-22-28)30-32-31-29(34-30)26-17-15-25(16-18-26)14-12-13-24(2)3/h15-22,24H,4-14,23H2,1-3H3