(4E)-4-(3-octyl-4,5-diphenyl-1,3-thiazol-2-ylidene)-2-sulfanylidene-1,3-oxathiolan-5-one

Systemtic Name: (4E)-4-(3-octyl-4,5-diphenyl-1,3-thiazol-2-ylidene)-2-sulfanylidene-1,3-oxathiolan-5-one Openeye Name: (4E)-4-(3-octyl-4,5-diphenyl-thiazol-2-ylidene)-2-thioxo-1,3-oxathiolan-5-one CAS Name: (4E)-4-(3-octyl-4,5-diphenyl-2-thiazolylidene)-2-sulfanylidene-1,3-oxathiolan-5-one IUPAC Name: (4E)-4-(3-octyl-4,5-diphenyl-1,3-thiazol-2-ylidene)-2-sulfanylidene-1,3-oxathiolan-5-one Traditional Name: (4E)-4-(3-octyl-4,5-diphenyl-4-thiazolin-2-ylidene)-2-thioxo-1,3-oxathiolan-5-one Formula: C26H27NO2S3 MolecularWeight: 481.69308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(SC1=C2C(=O)OC(=S)S2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCN\1C(=C(S/C1=C/2\C(=O)OC(=S)S2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO2S3/c1-2-3-4-5-6-13-18-27-21(19-14-9-7-10-15-19)22(20-16-11-8-12-17-20)31-24(27)23-25(28)29-26(30)32-23/h7-12,14-17H,2-6,13,18H2,1H3/b24-23+