4-[5-[(4-methylphenyl)methylsulfanyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-[(4-methylphenyl)methylsulfanyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(p-tolylmethylsulfanyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[(4-methylphenyl)methylthio]-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[(4-methylphenyl)methylsulfanyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[(4-methylbenzyl)thio]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=C3C=CC(=O)C=C3)O2

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=C3C=CC(=O)C=C3)O2

InChI

InChI=1S/C16H14N2O2S/c1-11-2-4-12(5-3-11)10-21-16-18-17-15(20-16)13-6-8-14(19)9-7-13/h2-9,17H,10H2,1H3