(E)-1-(3,5-diphenyl-1,2,3,4-tetrazol-2-ium-2-yl)-3,4-dimethyl-heptadec-8-ene-1-thiol

Systemtic Name: (E)-1-(3,5-diphenyl-1,2,3,4-tetrazol-2-ium-2-yl)-3,4-dimethyl-heptadec-8-ene-1-thiol Openeye Name: (E)-1-(3,5-diphenyltetrazol-2-ium-2-yl)-3,4-dimethyl-heptadec-8-ene-1-thiol CAS Name: (E)-1-(3,5-diphenyl-2-tetrazol-2-iumyl)-3,4-dimethyl-8-heptadecene-1-thiol IUPAC Name: (E)-1-(3,5-diphenyltetrazol-2-ium-2-yl)-3,4-dimethylheptadec-8-ene-1-thiol Traditional Name: (E)-1-(3,5-diphenyltetrazol-2-ium-2-yl)-3,4-dimethyl-heptadec-8-ene-1-thiol Formula: C32H47N4S+ MolecularWeight: 519.80738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCC(C)C(C)CC([N+]1=NC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)S

Isomeric SMILES

CCCCCCCC/C=C/CCCC(C)C(C)CC([N+]1=NC(=NN1C2=CC=CC=C2)C3=CC=CC=C3)S

InChI

InChI=1S/C32H46N4S/c1-4-5-6-7-8-9-10-11-12-13-16-21-27(2)28(3)26-31(37)36-34-32(29-22-17-14-18-23-29)33-35(36)30-24-19-15-20-25-30/h11-12,14-15,17-20,22-25,27-28,31H,4-10,13,16,21,26H2,1-3H3/p+1/b12-11+