2-[(Z)-(2-hexadecylsulfanyl-5-oxidanylidene-1,3-thiazol-4-ylidene)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(Z)-(2-hexadecylsulfanyl-5-oxidanylidene-1,3-thiazol-4-ylidene)methyl]isoindole-1,3-dione Openeye Name: 2-[(Z)-(2-hexadecylsulfanyl-5-oxo-thiazol-4-ylidene)methyl]isoindoline-1,3-dione CAS Name: 2-[(Z)-[2-(hexadecylthio)-5-oxo-4-thiazolylidene]methyl]isoindole-1,3-dione IUPAC Name: 2-[(Z)-(2-hexadecylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]isoindole-1,3-dione Traditional Name: 2-[(Z)-[2-(cetylthio)-5-keto-2-thiazolin-4-ylidene]methyl]isoindoline-1,3-quinone Formula: C28H38N2O3S2 MolecularWeight: 514.74292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC(=CN2C(=O)C3=CC=CC=C3C2=O)C(=O)S1

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=N/C(=C\N2C(=O)C3=CC=CC=C3C2=O)/C(=O)S1

InChI

InChI=1S/C28H38N2O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-34-28-29-24(27(33)35-28)21-30-25(31)22-18-15-16-19-23(22)26(30)32/h15-16,18-19,21H,2-14,17,20H2,1H3/b24-21-