3-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-1,3-benzothiazole-2-thione CAS Name: 3-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[(E)-1-(2-hydroxyphenyl)hexadec-5-enyl]-1,3-benzothiazole-2-thione Formula: C29H39NOS2 MolecularWeight: 481.75606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CCCCC(C1=CC=CC=C1O)N2C3=CC=CC=C3SC2=S

Isomeric SMILES

CCCCCCCCCC/C=C/CCCC(C1=CC=CC=C1O)N2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C29H39NOS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25(24-19-15-17-22-27(24)31)30-26-21-16-18-23-28(26)33-29(30)32/h11-12,15-19,21-23,25,31H,2-10,13-14,20H2,1H3/b12-11+