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

Systemtic Name: 1-cyano-1,2-bis[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]guanidine Openeye Name: 1-cyano-1,2-bis[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethyl]guanidine CAS Name: 1-cyano-1,2-bis[2-[(3-hydroxy-2-pyridinyl)methylthio]ethyl]guanidine IUPAC Name: 1-cyano-1,2-bis[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethyl]guanidine Traditional Name: 1-cyano-1,2-bis[2-[(3-hydroxy-2-pyridyl)methylthio]ethyl]guanidine Formula: C18H22N6O2S2 MolecularWeight: 418.53628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2S2/c19-13-24(8-10-28-12-15-17(26)4-2-6-22-15)18(20)23-7-9-27-11-14-16(25)3-1-5-21-14/h1-6,25-26H,7-12H2,(H2,20,23)