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(4S)-5-undecan-6-ylsulfanyl-4H-1,2,3-triazole-4-carboxylic acid

(4S)-5-undecan-6-ylsulfanyl-4H-1,2,3-triazole-4-carboxylic acid

Systemtic Name:(4S)-5-undecan-6-ylsulfanyl-4H-1,2,3-triazole-4-carboxylic acid
Openeye Name:(4S)-5-(1-pentylhexylsulfanyl)-4H-triazole-4-carboxylic acid
CAS Name:(4S)-5-(undecan-6-ylthio)-4H-triazole-4-carboxylic acid
IUPAC Name:(4S)-5-undecan-6-ylsulfanyl-4H-triazole-4-carboxylic acid
Traditional Name:(4S)-5-(1-amylhexylthio)-4H-triazole-4-carboxylic acid
Formula: C14H25N3O2S
MolecularWeight: 299.4322
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)SC1=NN=NC1C(=O)O


Isomeric SMILES

CCCCCC(CCCCC)SC1=NN=N[C@H]1C(=O)O


InChI

InChI=1S/C14H25N3O2S/c1-3-5-7-9-11(10-8-6-4-2)20-13-12(14(18)19)15-17-16-13/h11-12H,3-10H2,1-2H3,(H,18,19)/t12-/m1/s1


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