2-(2-chloranyl-5-hexadecoxy-phenyl)-5-sulfanyl-1,3-thiazole-4-carbaldehyde

Systemtic Name: 2-(2-chloranyl-5-hexadecoxy-phenyl)-5-sulfanyl-1,3-thiazole-4-carbaldehyde Openeye Name: 2-(2-chloro-5-hexadecoxy-phenyl)-5-sulfanyl-thiazole-4-carbaldehyde CAS Name: 2-(2-chloro-5-hexadecoxyphenyl)-5-mercapto-4-thiazolecarboxaldehyde IUPAC Name: 2-(2-chloro-5-hexadecoxyphenyl)-5-sulfanyl-1,3-thiazole-4-carbaldehyde Traditional Name: 2-(5-cetyloxy-2-chloro-phenyl)-5-mercapto-thiazole-4-carbaldehyde Formula: C26H38ClNO2S2 MolecularWeight: 496.16842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)Cl)C2=NC(=C(S2)S)C=O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)Cl)C2=NC(=C(S2)S)C=O

InChI

InChI=1S/C26H38ClNO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-21-16-17-23(27)22(19-21)25-28-24(20-29)26(31)32-25/h16-17,19-20,31H,2-15,18H2,1H3