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

Systemtic Name: 2-[4-chloranyl-5-methyl-2-(phenylmethylsulfanyl)phenyl]sulfonyl-1-phenylazanyl-guanidine Openeye Name: 1-anilino-2-(2-benzylsulfanyl-4-chloro-5-methyl-phenyl)sulfonyl-guanidine CAS Name: 1-anilino-2-[4-chloro-5-methyl-2-(phenylmethylthio)phenyl]sulfonylguanidine IUPAC Name: 1-anilino-2-(2-benzylsulfanyl-4-chloro-5-methylphenyl)sulfonylguanidine Traditional Name: 1-anilino-2-[2-(benzylthio)-4-chloro-5-methyl-phenyl]sulfonyl-guanidine Formula: C21H21ClN4O2S2 MolecularWeight: 461.00004

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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=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)/N=C(\N)/NNC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O2S2/c1-15-12-20(19(13-18(15)22)29-14-16-8-4-2-5-9-16)30(27,28)26-21(23)25-24-17-10-6-3-7-11-17/h2-13,24H,14H2,1H3,(H3,23,25,26)