[[4-(1H-imidazol-5-yl)phenyl]amino]-prop-2-enylimino-methanesulfonic acid

Systemtic Name: [[4-(1H-imidazol-5-yl)phenyl]amino]-prop-2-enylimino-methanesulfonic acid Openeye Name: allylimino-[4-(1H-imidazol-5-yl)anilino]methanesulfonic acid CAS Name: [4-(1H-imidazol-5-yl)anilino]-prop-2-enyliminomethanesulfonic acid IUPAC Name: [4-(1H-imidazol-5-yl)anilino]-prop-2-enyliminomethanesulfonic acid Traditional Name: allylimino-[4-(1H-imidazol-5-yl)anilino]methanesulfonic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NC1=CC=C(C=C1)C2=CN=CN2)S(=O)(=O)O

Isomeric SMILES

C=CCN=C(NC1=CC=C(C=C1)C2=CN=CN2)S(=O)(=O)O

InChI

InChI=1S/C13H14N4O3S/c1-2-7-15-13(21(18,19)20)17-11-5-3-10(4-6-11)12-8-14-9-16-12/h2-6,8-9H,1,7H2,(H,14,16)(H,15,17)(H,18,19,20)