2-[2-chloranyl-5-(phenylmethylsulfanyl)phenyl]-1-methyl-1-(3-methylsulfanylphenyl)guanidine

Systemtic Name: 2-[2-chloranyl-5-(phenylmethylsulfanyl)phenyl]-1-methyl-1-(3-methylsulfanylphenyl)guanidine Openeye Name: 2-(5-benzylsulfanyl-2-chloro-phenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine CAS Name: 2-[2-chloro-5-(phenylmethylthio)phenyl]-1-methyl-1-[3-(methylthio)phenyl]guanidine IUPAC Name: 2-(5-benzylsulfanyl-2-chlorophenyl)-1-methyl-1-(3-methylsulfanylphenyl)guanidine Traditional Name: 2-[5-(benzylthio)-2-chloro-phenyl]-1-methyl-1-[3-(methylthio)phenyl]guanidine Formula: C22H22ClN3S2 MolecularWeight: 428.01318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)SC)C(=NC2=C(C=CC(=C2)SCC3=CC=CC=C3)Cl)N

Isomeric SMILES

CN(C1=CC(=CC=C1)SC)C(=NC2=C(C=CC(=C2)SCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C22H22ClN3S2/c1-26(17-9-6-10-18(13-17)27-2)22(24)25-21-14-19(11-12-20(21)23)28-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H2,24,25)