3-[bis(azanyl)methylideneamino]-4-(methylsulfinylamino)benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-(methylsulfinylamino)benzoic acid Openeye Name: 3-guanidino-4-(methanesulfinamido)benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-(methanesulfinamido)benzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-(methanesulfinamido)benzoic acid Traditional Name: 3-guanidino-4-(methanesulfinamido)benzoic acid Formula: C9H12N4O3S MolecularWeight: 256.28158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)NC1=C(C=C(C=C1)C(=O)O)N=C(N)N

Isomeric SMILES

CS(=O)NC1=C(C=C(C=C1)C(=O)O)N=C(N)N

InChI

InChI=1S/C9H12N4O3S/c1-17(16)13-6-3-2-5(8(14)15)4-7(6)12-9(10)11/h2-4,13H,1H3,(H,14,15)(H4,10,11,12)