2-(6-butoxynaphthalen-2-yl)-5-(4-hexylphenyl)-1,3,4-thiadiazole

Systemtic Name: 2-(6-butoxynaphthalen-2-yl)-5-(4-hexylphenyl)-1,3,4-thiadiazole Openeye Name: 2-(6-butoxy-2-naphthyl)-5-(4-hexylphenyl)-1,3,4-thiadiazole CAS Name: 2-(6-butoxy-2-naphthalenyl)-5-(4-hexylphenyl)-1,3,4-thiadiazole IUPAC Name: 2-(6-butoxynaphthalen-2-yl)-5-(4-hexylphenyl)-1,3,4-thiadiazole Traditional Name: 2-(6-butoxy-2-naphthyl)-5-(4-hexylphenyl)-1,3,4-thiadiazole Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC4=C(C=C3)C=C(C=C4)OCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NN=C(S2)C3=CC4=C(C=C3)C=C(C=C4)OCCCC

InChI

InChI=1S/C28H32N2OS/c1-3-5-7-8-9-21-10-12-22(13-11-21)27-29-30-28(32-27)25-15-14-24-20-26(31-18-6-4-2)17-16-23(24)19-25/h10-17,19-20H,3-9,18H2,1-2H3