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

Systemtic Name: methyl 2-[bis(azanyl)methylideneamino]-5-phenyl-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-guanidino-5-phenyl-thiazole-4-carboxylate CAS Name: 2-(diaminomethylideneamino)-5-phenyl-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(diaminomethylideneamino)-5-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-guanidino-5-phenyl-thiazole-4-carboxylic acid methyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S/c1-18-10(17)8-9(7-5-3-2-4-6-7)19-12(15-8)16-11(13)14/h2-6H,1H3,(H4,13,14,15,16)