(3E,10E)-12-(1,3-benzothiazol-2-ylsulfanyl)-2,6,6-trimethyl-dodeca-3,10-dien-2-ol

Systemtic Name: (3E,10E)-12-(1,3-benzothiazol-2-ylsulfanyl)-2,6,6-trimethyl-dodeca-3,10-dien-2-ol Openeye Name: (3E,10E)-12-(1,3-benzothiazol-2-ylsulfanyl)-2,6,6-trimethyl-dodeca-3,10-dien-2-ol CAS Name: (3E,10E)-12-(1,3-benzothiazol-2-ylthio)-2,6,6-trimethyl-2-dodeca-3,10-dienol IUPAC Name: (3E,10E)-12-(1,3-benzothiazol-2-ylsulfanyl)-2,6,6-trimethyldodeca-3,10-dien-2-ol Traditional Name: (3E,10E)-12-(1,3-benzothiazol-2-ylthio)-2,6,6-trimethyl-dodeca-3,10-dien-2-ol Formula: C22H31NOS2 MolecularWeight: 389.61764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC=CCSC1=NC2=CC=CC=C2S1)CC=CC(C)(C)O

Isomeric SMILES

CC(C)(CCC/C=C/CSC1=NC2=CC=CC=C2S1)C/C=C/C(C)(C)O

InChI

InChI=1S/C22H31NOS2/c1-21(2,15-11-16-22(3,4)24)14-9-5-6-10-17-25-20-23-18-12-7-8-13-19(18)26-20/h6-8,10-13,16,24H,5,9,14-15,17H2,1-4H3/b10-6+,16-11+