2-[6-(4-chloranylphenoxy)hexyl]-1-cyano-3-(3,5-ditritiopyridin-4-yl)guanidine

Systemtic Name: 2-[6-(4-chloranylphenoxy)hexyl]-1-cyano-3-(3,5-ditritiopyridin-4-yl)guanidine Openeye Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-(3,5-ditritio-4-pyridyl)guanidine CAS Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-(3,5-ditritio-4-pyridinyl)guanidine IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-(3,5-ditritiopyridin-4-yl)guanidine Traditional Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-(3,5-ditritio-4-pyridyl)guanidine Formula: C19H22ClN5O MolecularWeight: 375.880099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl

Isomeric SMILES

[3H]C1=CN=CC(=C1NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N)[3H]

InChI

InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)/i9T,10T