bismuth; 1-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: bismuth; 1-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: bismuth 1-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine citrate CAS Name: bismuth; 1-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: bismuth; 1-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: bismuth 1-cyano-2-methyl-1-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine citrate Formula: C16H21BiN6O7S MolecularWeight: 650.41932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN(C#N)C(=NC)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Bi+3]

Isomeric SMILES

CC1=C(N=CN1)CSCCN(C#N)C(=NC)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Bi+3]

InChI

InChI=1S/C10H16N6S.C6H8O7.Bi/c1-8-9(15-7-14-8)5-17-4-3-16(6-11)10(12)13-2;7-3(8)1-6(13,5(11)12)2-4(9)10;/h7H,3-5H2,1-2H3,(H2,12,13)(H,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-3