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

Systemtic Name: 2-(4-hexoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole Openeye Name: 2-(4-hexoxyphenyl)-5-(4-isohexylphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-hexoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole IUPAC Name: 2-(4-hexoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole Traditional Name: 2-(4-hexoxyphenyl)-5-(4-isohexylphenyl)-1,3,4-thiadiazole Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCC(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCC(C)C

InChI

InChI=1S/C26H34N2OS/c1-4-5-6-7-19-29-24-17-15-23(16-18-24)26-28-27-25(30-26)22-13-11-21(12-14-22)10-8-9-20(2)3/h11-18,20H,4-10,19H2,1-3H3