4-[5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[(3,3-dimethyl-2-oxobutyl)thio]-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(3,3-dimethyl-2-oxobutyl)sulfanyl-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[(2-keto-3,3-dimethyl-butyl)thio]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NNC(=C2C=CC(=O)C=C2)O1

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NNC(=C2C=CC(=O)C=C2)O1

InChI

InChI=1S/C14H16N2O3S/c1-14(2,3)11(18)8-20-13-16-15-12(19-13)9-4-6-10(17)7-5-9/h4-7,15H,8H2,1-3H3