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5-[7-(2-nonyl-1,3-dithian-2-yl)heptylsulfanyl]-1-phenyl-1,2,3,4-tetrazole

5-[7-(2-nonyl-1,3-dithian-2-yl)heptylsulfanyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name:5-[7-(2-nonyl-1,3-dithian-2-yl)heptylsulfanyl]-1-phenyl-1,2,3,4-tetrazole
Openeye Name:5-[7-(2-nonyl-1,3-dithian-2-yl)heptylsulfanyl]-1-phenyl-tetrazole
CAS Name:5-[7-(2-nonyl-1,3-dithian-2-yl)heptylthio]-1-phenyltetrazole
IUPAC Name:5-[7-(2-nonyl-1,3-dithian-2-yl)heptylsulfanyl]-1-phenyltetrazole
Traditional Name:5-[7-(2-nonyl-1,3-dithian-2-yl)heptylthio]-1-phenyl-tetrazole
Formula: C27H44N4S3
MolecularWeight: 520.86006
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(SCCCS1)CCCCCCCSC2=NN=NN2C3=CC=CC=C3


Isomeric SMILES

CCCCCCCCCC1(SCCCS1)CCCCCCCSC2=NN=NN2C3=CC=CC=C3


InChI

InChI=1S/C27H44N4S3/c1-2-3-4-5-6-8-14-20-27(33-23-17-24-34-27)21-15-9-7-10-16-22-32-26-28-29-30-31(26)25-18-12-11-13-19-25/h11-13,18-19H,2-10,14-17,20-24H2,1H3


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