1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 4-oxidanylidenechromene-2-carboxylic acid

Systemtic Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 4-oxidanylidenechromene-2-carboxylic acid Openeye Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 4-oxochromene-2-carboxylic acid CAS Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine; 4-oxo-1-benzopyran-2-carboxylic acid IUPAC Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 4-oxochromene-2-carboxylic acid Traditional Name: 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine; 4-ketochromene-2-carboxylic acid Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC(=NC)NC#N.C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O

Isomeric SMILES

CC1=C(N=CN1)CSCCNC(=NC)NC#N.C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C10H16N6S.C10H6O4/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1-5H,(H,12,13)