5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(5-nitrothiophen-2-yl)methyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-methyl-4-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(5-nitrothiophen-2-yl)methyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitro-2-thienyl)methyl]-1,2-dihydropyrazol-3-one CAS Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitro-2-thiophenyl)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-methyl-4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitrothiophen-2-yl)methyl]-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(5-nitro-2-thienyl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(S2)[N+](=O)[O-])C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(S2)[N+](=O)[O-])C3=C(NNC3=O)C

InChI

InChI=1S/C13H13N5O4S/c1-5-9(12(19)16-14-5)11(10-6(2)15-17-13(10)20)7-3-4-8(23-7)18(21)22/h3-4,11H,1-2H3,(H2,14,16,19)(H2,15,17,20)