N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-5-nitro-thiophene-2-carboxamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-5-nitro-thiophene-2-carboxamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-5-nitrothiophene-2-carboxamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-5-nitro-thiophene-2-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-12-15(13(2)21(19-12)14-7-5-4-6-8-14)11-20(3)18(23)16-9-10-17(26-16)22(24)25/h4-10H,11H2,1-3H3