(6Z)-6-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=O)S2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN/C(=C/3\C=CC=CC3=O)/S2

InChI

InChI=1S/C22H26N2O2S/c1-2-3-4-5-6-9-16-26-18-14-12-17(13-15-18)21-23-24-22(27-21)19-10-7-8-11-20(19)25/h7-8,10-15,24H,2-6,9,16H2,1H3/b22-19-