(4E)-4-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carboximidamide

Systemtic Name: (4E)-4-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carboximidamide Openeye Name: (4E)-4-[(4-guanidinosulfonylphenyl)hydrazono]-3-methyl-5-oxo-pyrazole-1-carboxamidine CAS Name: (4E)-4-[[4-(diaminomethylideneamino)sulfonylphenyl]hydrazinylidene]-3-methyl-5-oxo-1-pyrazolecarboximidamide IUPAC Name: (4E)-4-[[4-(diaminomethylideneamino)sulfonylphenyl]hydrazinylidene]-3-methyl-5-oxopyrazole-1-carboximidamide Traditional Name: (4E)-4-[(4-guanidinosulfonylphenyl)hydrazono]-5-keto-3-methyl-2-pyrazoline-1-carboxamidine Formula: C12H15N9O3S MolecularWeight: 365.371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C(=N)N

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N)C(=N)N

InChI

InChI=1S/C12H15N9O3S/c1-6-9(10(22)21(19-6)12(15)16)18-17-7-2-4-8(5-3-7)25(23,24)20-11(13)14/h2-5,17H,1H3,(H3,15,16)(H4,13,14,20)/b18-9+