1,3-dimethyl-5-(4-methylsulfanylphenoxy)-4-nitro-pyrazole

Systemtic Name: 1,3-dimethyl-5-(4-methylsulfanylphenoxy)-4-nitro-pyrazole Openeye Name: 1,3-dimethyl-5-(4-methylsulfanylphenoxy)-4-nitro-pyrazole CAS Name: 1,3-dimethyl-5-[4-(methylthio)phenoxy]-4-nitropyrazole IUPAC Name: 1,3-dimethyl-5-(4-methylsulfanylphenoxy)-4-nitropyrazole Traditional Name: 1,3-dimethyl-5-[4-(methylthio)phenoxy]-4-nitro-pyrazole Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])OC2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])OC2=CC=C(C=C2)SC)C

InChI

InChI=1S/C12H13N3O3S/c1-8-11(15(16)17)12(14(2)13-8)18-9-4-6-10(19-3)7-5-9/h4-7H,1-3H3