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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-nitro-benzothiophene-2-carboxamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S/c1-13-18(14(2)24(23-13)16-6-4-3-5-7-16)12-22-21(26)20-11-15-10-17(25(27)28)8-9-19(15)29-20/h3-11H,12H2,1-2H3,(H,22,26)