1-[3-[(3-chloranylpyridin-2-yl)methylsulfanyl]propyl]-1-cyano-2-prop-2-ynyl-guanidine

Systemtic Name: 1-[3-[(3-chloranylpyridin-2-yl)methylsulfanyl]propyl]-1-cyano-2-prop-2-ynyl-guanidine Openeye Name: 1-[3-[(3-chloro-2-pyridyl)methylsulfanyl]propyl]-1-cyano-2-prop-2-ynyl-guanidine CAS Name: 1-[3-[(3-chloro-2-pyridinyl)methylthio]propyl]-1-cyano-2-prop-2-ynylguanidine IUPAC Name: 1-[3-[(3-chloropyridin-2-yl)methylsulfanyl]propyl]-1-cyano-2-prop-2-ynylguanidine Traditional Name: 1-[3-[(3-chloro-2-pyridyl)methylthio]propyl]-1-cyano-2-propargyl-guanidine Formula: C14H16ClN5S MolecularWeight: 321.82834

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN=C(N)N(CCCSCC1=C(C=CC=N1)Cl)C#N

Isomeric SMILES

C#CCN=C(N)N(CCCSCC1=C(C=CC=N1)Cl)C#N

InChI

InChI=1S/C14H16ClN5S/c1-2-6-19-14(17)20(11-16)8-4-9-21-10-13-12(15)5-3-7-18-13/h1,3,5,7H,4,6,8-10H2,(H2,17,19)