(2S)-N-(2,6-dimethylphenyl)-2-[[2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-[[2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-[[2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-[[2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]propanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-[[2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]thio]propionamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)SC2=NNC(=C3C=CC=CC3=O)O2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)SC2=NNC(=C3C=CC=CC3=O)O2

InChI

InChI=1S/C19H19N3O3S/c1-11-7-6-8-12(2)16(11)20-17(24)13(3)26-19-22-21-18(25-19)14-9-4-5-10-15(14)23/h4-10,13,21H,1-3H3,(H,20,24)/t13-/m0/s1