4-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-5-carbonitrile

Systemtic Name: 4-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-1,2,3-thiadiazole-5-carbonitrile Openeye Name: 4-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-5-carbonitrile CAS Name: 4-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-5-thiadiazolecarbonitrile IUPAC Name: 4-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]thiadiazole-5-carbonitrile Traditional Name: 4-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]thiadiazole-5-carbonitrile Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=C(SN=N2)C#N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)C2=C(SN=N2)C#N)O

InChI

InChI=1S/C16H20N4O2S/c1-16(2,3)18-9-12(21)10-22-13-6-4-11(5-7-13)15-14(8-17)23-20-19-15/h4-7,12,18,21H,9-10H2,1-3H3