4-[5-(3,5-dimethylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-(3,5-dimethylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(3,5-dimethylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(3,5-dimethylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(3,5-dimethylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(3,5-dimethylphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NNC(=C3C=CC(=O)C=C3)S2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NNC(=C3C=CC(=O)C=C3)S2)C

InChI

InChI=1S/C16H14N2OS/c1-10-7-11(2)9-13(8-10)16-18-17-15(20-16)12-3-5-14(19)6-4-12/h3-9,17H,1-2H3