N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[(4-guanidinosulfonylphenyl)carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[[4-(diaminomethylideneamino)sulfonylanilino]-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[(4-guanidinosulfonylphenyl)thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C13H15N7O3S2 MolecularWeight: 381.4333

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N

InChI

InChI=1S/C13H15N7O3S2/c1-20-7-6-10(18-20)11(21)17-13(24)16-8-2-4-9(5-3-8)25(22,23)19-12(14)15/h2-7H,1H3,(H4,14,15,19)(H2,16,17,21,24)