2-methyl-5-(3-methyl-4-nitro-pyrazol-1-yl)benzenethiol

Systemtic Name: 2-methyl-5-(3-methyl-4-nitro-pyrazol-1-yl)benzenethiol Openeye Name: 2-methyl-5-(3-methyl-4-nitro-pyrazol-1-yl)benzenethiol CAS Name: 2-methyl-5-(3-methyl-4-nitro-1-pyrazolyl)benzenethiol IUPAC Name: 2-methyl-5-(3-methyl-4-nitropyrazol-1-yl)benzenethiol Traditional Name: 2-methyl-5-(3-methyl-4-nitro-pyrazol-1-yl)benzenethiol Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C(=N2)C)[N+](=O)[O-])S

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C(=N2)C)[N+](=O)[O-])S

InChI

InChI=1S/C11H11N3O2S/c1-7-3-4-9(5-11(7)17)13-6-10(14(15)16)8(2)12-13/h3-6,17H,1-2H3