3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide

Systemtic Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide Openeye Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(5-nitro-2-thienyl)methyleneamino]benzamide CAS Name: 3-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]benzamide IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide Traditional Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(5-nitro-2-thienyl)methyleneamino]benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)NN=CC3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)N/N=C/C3=CC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N5O3S/c1-12-8-13(2)22(21-12)11-14-4-3-5-15(9-14)18(24)20-19-10-16-6-7-17(27-16)23(25)26/h3-10H,11H2,1-2H3,(H,20,24)/b19-10+