3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]benzoic acid

Systemtic Name: 3-[2-[bis(azanyl)methylideneamino]-4-methyl-1,3-thiazol-5-yl]benzoic acid Openeye Name: 3-(2-guanidino-4-methyl-thiazol-5-yl)benzoic acid CAS Name: 3-[2-(diaminomethylideneamino)-4-methyl-5-thiazolyl]benzoic acid IUPAC Name: 3-[2-(diaminomethylideneamino)-4-methyl-1,3-thiazol-5-yl]benzoic acid Traditional Name: 3-(2-guanidino-4-methyl-thiazol-5-yl)benzoic acid Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N=C(N)N)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N=C(N)N)C2=CC(=CC=C2)C(=O)O

InChI

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