1-cyano-2-methyl-3-[2-[[5-methyl-1-[2-(2-nitrososulfanyl-2-adamantyl)ethanoyl]imidazol-4-yl]methylsulfanyl]ethyl]guanidine

Systemtic Name: 1-cyano-2-methyl-3-[2-[[5-methyl-1-[2-(2-nitrososulfanyl-2-adamantyl)ethanoyl]imidazol-4-yl]methylsulfanyl]ethyl]guanidine Openeye Name: 1-cyano-2-methyl-3-[2-[[5-methyl-1-[2-(2-nitrososulfanyl-2-adamantyl)acetyl]imidazol-4-yl]methylsulfanyl]ethyl]guanidine CAS Name: 1-cyano-2-methyl-3-[2-[[5-methyl-1-[2-[2-(nitrosothio)-2-adamantyl]-1-oxoethyl]-4-imidazolyl]methylthio]ethyl]guanidine IUPAC Name: 1-cyano-2-methyl-3-[2-[[5-methyl-1-[2-(2-nitrososulfanyl-2-adamantyl)acetyl]imidazol-4-yl]methylsulfanyl]ethyl]guanidine Traditional Name: 1-cyano-2-methyl-3-[2-[[5-methyl-1-[2-[2-(nitrosothio)-2-adamantyl]acetyl]imidazol-4-yl]methylthio]ethyl]guanidine Formula: C22H31N7O2S2 MolecularWeight: 489.65724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1C(=O)CC2(C3CC4CC(C3)CC2C4)SN=O)CSCCNC(=NC)NC#N

Isomeric SMILES

CC1=C(N=CN1C(=O)CC2(C3CC4CC(C3)CC2C4)SN=O)CSCCNC(=NC)NC#N

InChI

InChI=1S/C22H31N7O2S2/c1-14-19(11-32-4-3-25-21(24-2)26-12-23)27-13-29(14)20(30)10-22(33-28-31)17-6-15-5-16(8-17)9-18(22)7-15/h13,15-18H,3-11H2,1-2H3,(H2,24,25,26)