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

Systemtic Name: 4-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]thio]-2-hydroxy-propoxy]benzonitrile Formula: C14H15N3O2S3 MolecularWeight: 353.4828

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)SCC(COC2=CC=C(C=C2)C#N)O

Isomeric SMILES

CCSC1=NN=C(S1)SCC(COC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C14H15N3O2S3/c1-2-20-13-16-17-14(22-13)21-9-11(18)8-19-12-5-3-10(7-15)4-6-12/h3-6,11,18H,2,8-9H2,1H3