1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-5-(3-methoxyphenyl)-3-methylsulfanyl-4H-pyrazol-1-ium-4-carbonitrile

Systemtic Name: 1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-5-(3-methoxyphenyl)-3-methylsulfanyl-4H-pyrazol-1-ium-4-carbonitrile Openeye Name: 1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-5-(3-methoxyphenyl)-3-methylsulfanyl-4H-pyrazol-1-ium-4-carbonitrile CAS Name: 1-(2,5-dimethyl-4-nitro-3-pyrazolyl)-5-(3-methoxyphenyl)-3-(methylthio)-4H-pyrazol-1-ium-4-carbonitrile IUPAC Name: 1-(2,5-dimethyl-4-nitropyrazol-3-yl)-5-(3-methoxyphenyl)-3-methylsulfanyl-4H-pyrazol-1-ium-4-carbonitrile Traditional Name: 1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)-5-(3-methoxyphenyl)-3-(methylthio)-4H-pyrazol-1-ium-4-carbonitrile Formula: C17H17N6O3S+ MolecularWeight: 385.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])[N+]2=C(C(C(=N2)SC)C#N)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])[N+]2=C(C(C(=N2)SC)C#N)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C17H17N6O3S/c1-10-14(23(24)25)17(21(2)19-10)22-15(13(9-18)16(20-22)27-4)11-6-5-7-12(8-11)26-3/h5-8,13H,1-4H3/q+1