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

Systemtic Name: 1-(cyanomethyl)-2-methyl-3-[2-[[5-methyl-1-[2-(2-nitrososulfanyl-2-adamantyl)ethanoyl]imidazol-4-yl]methylsulfanyl]ethyl]guanidine Openeye Name: 1-(cyanomethyl)-2-methyl-3-[2-[[5-methyl-1-[2-(2-nitrososulfanyl-2-adamantyl)acetyl]imidazol-4-yl]methylsulfanyl]ethyl]guanidine CAS Name: 1-(cyanomethyl)-2-methyl-3-[2-[[5-methyl-1-[2-[2-(nitrosothio)-2-adamantyl]-1-oxoethyl]-4-imidazolyl]methylthio]ethyl]guanidine IUPAC Name: 1-(cyanomethyl)-2-methyl-3-[2-[[5-methyl-1-[2-(2-nitrososulfanyl-2-adamantyl)acetyl]imidazol-4-yl]methylsulfanyl]ethyl]guanidine Traditional Name: 1-(cyanomethyl)-2-methyl-3-[2-[[5-methyl-1-[2-[2-(nitrosothio)-2-adamantyl]acetyl]imidazol-4-yl]methylthio]ethyl]guanidine Formula: C23H33N7O2S2 MolecularWeight: 503.68382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N7O2S2/c1-15-20(13-33-6-5-27-22(25-2)26-4-3-24)28-14-30(15)21(31)12-23(34-29-32)18-8-16-7-17(10-18)11-19(23)9-16/h14,16-19H,4-13H2,1-2H3,(H2,25,26,27)