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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC(=C1)C2=C(N=NS2)C#N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC(=C1)C2=C(N=NS2)C#N)O

InChI

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