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

Systemtic Name: 2-[4-chloranyl-5-methyl-2-(phenylmethylsulfanyl)phenyl]sulfonyl-1-(2-hydroxyphenyl)guanidine Openeye Name: 2-(2-benzylsulfanyl-4-chloro-5-methyl-phenyl)sulfonyl-1-(2-hydroxyphenyl)guanidine CAS Name: 2-[4-chloro-5-methyl-2-(phenylmethylthio)phenyl]sulfonyl-1-(2-hydroxyphenyl)guanidine IUPAC Name: 2-(2-benzylsulfanyl-4-chloro-5-methylphenyl)sulfonyl-1-(2-hydroxyphenyl)guanidine Traditional Name: 2-[2-(benzylthio)-4-chloro-5-methyl-phenyl]sulfonyl-1-(2-hydroxyphenyl)guanidine Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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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)NC3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)/N=C(/N)\NC3=CC=CC=C3O

InChI

InChI=1S/C21H20ClN3O3S2/c1-14-11-20(19(12-16(14)22)29-13-15-7-3-2-4-8-15)30(27,28)25-21(23)24-17-9-5-6-10-18(17)26/h2-12,26H,13H2,1H3,(H3,23,24,25)