2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-hexanenitrile

Systemtic Name: 2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-hexanenitrile Openeye Name: 2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-hexanenitrile CAS Name: 2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylhexanenitrile IUPAC Name: 2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methylhexanenitrile Traditional Name: 2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-hexanenitrile Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C(C)(CCCC)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C(C)(CCCC)C#N

InChI

InChI=1S/C21H29N3OS/c1-4-6-8-9-15-25-18-12-10-17(11-13-18)19-23-24-20(26-19)21(3,16-22)14-7-5-2/h10-13H,4-9,14-15H2,1-3H3