4-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-2-hydroxy-propoxy]benzonitrile Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C16H20N4O2S2/c1-2-3-8-18-15-19-20-16(24-15)23-11-13(21)10-22-14-6-4-12(9-17)5-7-14/h4-7,13,21H,2-3,8,10-11H2,1H3,(H,18,19)