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

Systemtic Name: 2-[[5-(2-hexoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]methyl]-2-methyl-pentanenitrile Openeye Name: 2-[[5-(2-hexoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]methyl]-2-methyl-pentanenitrile CAS Name: 2-[[5-(2-hexoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]methyl]-2-methylpentanenitrile IUPAC Name: 2-[[5-(2-hexoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]methyl]-2-methylpentanenitrile Traditional Name: 2-[[5-(2-hexoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]methyl]-2-methyl-valeronitrile Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C2=NN(CS2)CC(C)(CCC)C#N

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C2=NN(CS2)CC(C)(CCC)C#N

InChI

InChI=1S/C21H31N3OS/c1-4-6-7-10-14-25-19-12-9-8-11-18(19)20-23-24(17-26-20)16-21(3,15-22)13-5-2/h8-9,11-12H,4-7,10,13-14,16-17H2,1-3H3