1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-methylsulfonyl-guanidine

Systemtic Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-methylsulfonyl-guanidine Openeye Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-methylsulfonyl-guanidine CAS Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-methylsulfonylguanidine IUPAC Name: 1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-methylsulfonylguanidine Traditional Name: 1-mesyl-1,2-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Formula: C16H27N7O2S3 MolecularWeight: 445.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C(N)N(CCSCC2=C(NC=N2)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C(N)N(CCSCC2=C(NC=N2)C)S(=O)(=O)C

InChI

InChI=1S/C16H27N7O2S3/c1-12-14(21-10-19-12)8-26-6-4-18-16(17)23(28(3,24)25)5-7-27-9-15-13(2)20-11-22-15/h10-11H,4-9H2,1-3H3,(H2,17,18)(H,19,21)(H,20,22)