2-[4-chloranyl-5-methyl-2-(phenylmethylsulfanyl)phenyl]sulfonyl-1-(pyridin-2-ylamino)guanidine

Systemtic Name: 2-[4-chloranyl-5-methyl-2-(phenylmethylsulfanyl)phenyl]sulfonyl-1-(pyridin-2-ylamino)guanidine Openeye Name: 2-(2-benzylsulfanyl-4-chloro-5-methyl-phenyl)sulfonyl-1-(2-pyridylamino)guanidine CAS Name: 2-[4-chloro-5-methyl-2-(phenylmethylthio)phenyl]sulfonyl-1-(2-pyridinylamino)guanidine IUPAC Name: 2-(2-benzylsulfanyl-4-chloro-5-methylphenyl)sulfonyl-1-(pyridin-2-ylamino)guanidine Traditional Name: 2-[2-(benzylthio)-4-chloro-5-methyl-phenyl]sulfonyl-1-(2-pyridylamino)guanidine Formula: C20H20ClN5O2S2 MolecularWeight: 461.9881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(N)NNC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)/N=C(/N)\NNC3=CC=CC=N3

InChI

InChI=1S/C20H20ClN5O2S2/c1-14-11-18(17(12-16(14)21)29-13-15-7-3-2-4-8-15)30(27,28)26-20(22)25-24-19-9-5-6-10-23-19/h2-12H,13H2,1H3,(H,23,24)(H3,22,25,26)