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

Systemtic Name: 4-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-(4-octoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]cyclohexa-2,5-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(=O)C=C3)S2

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C3C=CC(=O)C=C3)S2

InChI

InChI=1S/C22H26N2O2S/c1-2-3-4-5-6-7-16-26-20-14-10-18(11-15-20)22-24-23-21(27-22)17-8-12-19(25)13-9-17/h8-15,23H,2-7,16H2,1H3