methyl 5-(3-aminophenyl)-2-[bis(azanyl)methylideneamino]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 5-(3-aminophenyl)-2-[bis(azanyl)methylideneamino]-1,3-thiazole-4-carboxylate Openeye Name: methyl 5-(3-aminophenyl)-2-guanidino-thiazole-4-carboxylate CAS Name: 5-(3-aminophenyl)-2-(diaminomethylideneamino)-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(3-aminophenyl)-2-(diaminomethylideneamino)-1,3-thiazole-4-carboxylate Traditional Name: 5-(3-aminophenyl)-2-guanidino-thiazole-4-carboxylic acid methyl ester Formula: C12H13N5O2S MolecularWeight: 291.32892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=N1)N=C(N)N)C2=CC(=CC=C2)N

Isomeric SMILES

COC(=O)C1=C(SC(=N1)N=C(N)N)C2=CC(=CC=C2)N

InChI

InChI=1S/C12H13N5O2S/c1-19-10(18)8-9(6-3-2-4-7(13)5-6)20-12(16-8)17-11(14)15/h2-5H,13H2,1H3,(H4,14,15,16,17)