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

Systemtic Name: 1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-2-(phenylsulfonyl)guanidine Openeye Name: 2-(benzenesulfonyl)-1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine CAS Name: 2-(benzenesulfonyl)-1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine IUPAC Name: 2-(benzenesulfonyl)-1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine Traditional Name: 2-besyl-1,1-bis[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine Formula: C21H29N7O2S3 MolecularWeight: 507.69566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN(CCSCC2=C(NC=N2)C)C(=NS(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC1=C(N=CN1)CSCCN(CCSCC2=C(NC=N2)C)/C(=N/S(=O)(=O)C3=CC=CC=C3)/N

InChI

InChI=1S/C21H29N7O2S3/c1-16-19(25-14-23-16)12-31-10-8-28(9-11-32-13-20-17(2)24-15-26-20)21(22)27-33(29,30)18-6-4-3-5-7-18/h3-7,14-15H,8-13H2,1-2H3,(H2,22,27)(H,23,25)(H,24,26)