3-hexadecylsulfanyl-2-(5-methyl-1,2,3,4-tetrazol-1-yl)propan-1-ol

Systemtic Name: 3-hexadecylsulfanyl-2-(5-methyl-1,2,3,4-tetrazol-1-yl)propan-1-ol Openeye Name: 3-hexadecylsulfanyl-2-(5-methyltetrazol-1-yl)propan-1-ol CAS Name: 3-(hexadecylthio)-2-(5-methyl-1-tetrazolyl)-1-propanol IUPAC Name: 3-hexadecylsulfanyl-2-(5-methyltetrazol-1-yl)propan-1-ol Traditional Name: 3-(cetylthio)-2-(5-methyltetrazol-1-yl)propan-1-ol Formula: C21H42N4OS MolecularWeight: 398.64938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CO)N1C(=NN=N1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CO)N1C(=NN=N1)C

InChI

InChI=1S/C21H42N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-19-21(18-26)25-20(2)22-23-24-25/h21,26H,3-19H2,1-2H3