1,5-dimethyl-3-oxidanylidene-2-phenyl-4-(2-sulfonatosulfanylethanoylamino)pyrazole

Systemtic Name: 1,5-dimethyl-3-oxidanylidene-2-phenyl-4-(2-sulfonatosulfanylethanoylamino)pyrazole Openeye Name: 1,5-dimethyl-3-oxo-2-phenyl-4-[(2-sulfonatosulfanylacetyl)amino]pyrazole CAS Name: 1,5-dimethyl-3-oxo-4-[[1-oxo-2-(sulfonatothio)ethyl]amino]-2-phenylpyrazole IUPAC Name: 1,5-dimethyl-3-oxo-2-phenyl-4-[(2-sulfonatosulfanylacetyl)amino]pyrazole Traditional Name: 3-keto-1,5-dimethyl-2-phenyl-4-[[2-(sulfonatothio)acetyl]amino]-3-pyrazoline Formula: C13H14N3O5S2- MolecularWeight: 356.39736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSS(=O)(=O)[O-]

InChI

InChI=1S/C13H15N3O5S2/c1-9-12(14-11(17)8-22-23(19,20)21)13(18)16(15(9)2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,17)(H,19,20,21)/p-1