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

Systemtic Name: 2-(4-heptoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole Openeye Name: 2-(4-heptoxyphenyl)-5-(4-isohexylphenyl)-1,3,4-thiadiazole CAS Name: 2-(4-heptoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole IUPAC Name: 2-(4-heptoxyphenyl)-5-[4-(4-methylpentyl)phenyl]-1,3,4-thiadiazole Traditional Name: 2-(4-heptoxyphenyl)-5-(4-isohexylphenyl)-1,3,4-thiadiazole Formula: C27H36N2OS MolecularWeight: 436.65254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCC(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=CC=C(C=C3)CCCC(C)C

InChI

InChI=1S/C27H36N2OS/c1-4-5-6-7-8-20-30-25-18-16-24(17-19-25)27-29-28-26(31-27)23-14-12-22(13-15-23)11-9-10-21(2)3/h12-19,21H,4-11,20H2,1-3H3