1,2-bis[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-1-cyano-guanidine

Systemtic Name: 1,2-bis[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-1-cyano-guanidine Openeye Name: 1,2-bis[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-1-cyano-guanidine CAS Name: 1,2-bis[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-1-cyanoguanidine IUPAC Name: 1,2-bis[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-1-cyanoguanidine Traditional Name: 1,2-bis[2-[(3-bromo-2-pyridyl)methylthio]ethyl]-1-cyano-guanidine Formula: C18H20Br2N6S2 MolecularWeight: 544.3296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSCCN=C(N)N(CCSCC2=C(C=CC=N2)Br)C#N)Br

Isomeric SMILES

C1=CC(=C(N=C1)CSCCN=C(N)N(CCSCC2=C(C=CC=N2)Br)C#N)Br

InChI

InChI=1S/C18H20Br2N6S2/c19-14-3-1-5-23-16(14)11-27-9-7-25-18(22)26(13-21)8-10-28-12-17-15(20)4-2-6-24-17/h1-6H,7-12H2,(H2,22,25)