4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-ethyl-thiophene-2-carbaldehyde

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-ethyl-thiophene-2-carbaldehyde Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-ethyl-thiophene-2-carbaldehyde CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-5-ethyl-2-thiophenecarboxaldehyde IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-ethyl-thiophene-2-carbaldehyde Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=C(S1)C=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H15N3O3S/c1-4-12-10(5-11(7-17)20-12)6-15-9(3)13(16(18)19)8(2)14-15/h5,7H,4,6H2,1-3H3