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

Systemtic Name: 4-[4-(3-azanyl-2-oxidanyl-propoxy)phenyl]-1,2,3-thiadiazole-5-carbonitrile Openeye Name: 4-[4-(3-amino-2-hydroxy-propoxy)phenyl]thiadiazole-5-carbonitrile CAS Name: 4-[4-(3-amino-2-hydroxypropoxy)phenyl]-5-thiadiazolecarbonitrile IUPAC Name: 4-[4-(3-amino-2-hydroxypropoxy)phenyl]thiadiazole-5-carbonitrile Traditional Name: 4-[4-(3-amino-2-hydroxy-propoxy)phenyl]thiadiazole-5-carbonitrile Formula: C12H12N4O2S MolecularWeight: 276.31428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(SN=N2)C#N)OCC(CN)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(SN=N2)C#N)OCC(CN)O

InChI

InChI=1S/C12H12N4O2S/c13-5-9(17)7-18-10-3-1-8(2-4-10)12-11(6-14)19-16-15-12/h1-4,9,17H,5,7,13H2