3,5-dimethyl-4-[3-(2-oxidanylidene-3H-1,3,4-thiadiazol-5-yl)propoxy]benzenecarbonitrile

Systemtic Name: 3,5-dimethyl-4-[3-(2-oxidanylidene-3H-1,3,4-thiadiazol-5-yl)propoxy]benzenecarbonitrile Openeye Name: 3,5-dimethyl-4-[3-(2-oxo-3H-1,3,4-thiadiazol-5-yl)propoxy]benzonitrile CAS Name: 3,5-dimethyl-4-[3-(2-oxo-3H-1,3,4-thiadiazol-5-yl)propoxy]benzonitrile IUPAC Name: 3,5-dimethyl-4-[3-(2-oxo-3H-1,3,4-thiadiazol-5-yl)propoxy]benzonitrile Traditional Name: 4-[3-(2-keto-3H-1,3,4-thiadiazol-5-yl)propoxy]-3,5-dimethyl-benzonitrile Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC2=NNC(=O)S2)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC2=NNC(=O)S2)C)C#N

InChI

InChI=1S/C14H15N3O2S/c1-9-6-11(8-15)7-10(2)13(9)19-5-3-4-12-16-17-14(18)20-12/h6-7H,3-5H2,1-2H3,(H,17,18)