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

Systemtic Name: 4-[5-(4-phenyl-1-sulfanyl-butyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(4-phenyl-1-sulfanyl-butyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(1-mercapto-4-phenylbutyl)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(4-phenyl-1-sulfanylbutyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(1-mercapto-4-phenyl-butyl)-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C2=NNC(=C3C=CC(=O)C=C3)O2)S

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C2=NNC(=C3C=CC(=O)C=C3)O2)S

InChI

InChI=1S/C18H18N2O2S/c21-15-11-9-14(10-12-15)17-19-20-18(22-17)16(23)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12,16,19,23H,4,7-8H2