2-[(2-phenyl-1,5-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]octanoic acid

Systemtic Name: 2-[(2-phenyl-1,5-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]octanoic acid Openeye Name: 2-[(2-phenyl-1,5-dihydrotetrazol-5-yl)sulfanyl]octanoic acid CAS Name: 2-[(2-phenyl-1,5-dihydrotetrazol-5-yl)thio]octanoic acid IUPAC Name: 2-[(2-phenyl-1,5-dihydrotetrazol-5-yl)sulfanyl]octanoic acid Traditional Name: 2-[(2-phenyl-1,5-dihydrotetrazol-5-yl)thio]caprylic acid Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1NN(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1NN(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H22N4O2S/c1-2-3-4-8-11-13(14(20)21)22-15-16-18-19(17-15)12-9-6-5-7-10-12/h5-7,9-10,13,15,17H,2-4,8,11H2,1H3,(H,20,21)