3-[2-(3-pentadecylphenoxy)ethylamino]-4-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]phenol

Systemtic Name: 3-[2-(3-pentadecylphenoxy)ethylamino]-4-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]phenol Openeye Name: 3-[2-(3-pentadecylphenoxy)ethylamino]-4-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]phenol CAS Name: 3-[2-(3-pentadecylphenoxy)ethylamino]-4-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]phenol IUPAC Name: 3-[2-(3-pentadecylphenoxy)ethylamino]-4-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]phenol Traditional Name: 3-[2-(3-pentadecylphenoxy)ethylamino]-4-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]phenol Formula: C36H50N5O2S+ MolecularWeight: 616.8795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)O)SC3=[N+](NN=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCCNC2=C(C=CC(=C2)O)SC3=[N+](NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C36H49N5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-30-20-18-23-33(28-30)43-27-26-37-34-29-32(42)24-25-35(34)44-36-38-39-40-41(36)31-21-16-14-17-22-31/h14,16-18,20-25,28-29,37,42H,2-13,15,19,26-27H2,1H3/p+1