1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-(4-methylphenyl)sulfonyl-guanidine

Systemtic Name: 1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-(4-methylphenyl)sulfonyl-guanidine Openeye Name: 1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-(p-tolylsulfonyl)guanidine CAS Name: 1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-(4-methylphenyl)sulfonylguanidine IUPAC Name: 1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-(4-methylphenyl)sulfonylguanidine Traditional Name: 1-methyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-tosyl-guanidine Formula: C16H23N5O2S2 MolecularWeight: 381.51612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=NCCSCC2=C(NC=N2)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=NCCSCC2=C(NC=N2)C)N

InChI

InChI=1S/C16H23N5O2S2/c1-12-4-6-14(7-5-12)25(22,23)21(3)16(17)18-8-9-24-10-15-13(2)19-11-20-15/h4-7,11H,8-10H2,1-3H3,(H2,17,18)(H,19,20)