(4-methylphenyl)-[3-(5-nitrothiophen-2-yl)-1-phenyl-pyrazol-4-yl]methanone

Systemtic Name: (4-methylphenyl)-[3-(5-nitrothiophen-2-yl)-1-phenyl-pyrazol-4-yl]methanone Openeye Name: [3-(5-nitro-2-thienyl)-1-phenyl-pyrazol-4-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[3-(5-nitro-2-thiophenyl)-1-phenyl-4-pyrazolyl]methanone IUPAC Name: (4-methylphenyl)-[3-(5-nitrothiophen-2-yl)-1-phenylpyrazol-4-yl]methanone Traditional Name: [3-(5-nitro-2-thienyl)-1-phenyl-pyrazol-4-yl]-(p-tolyl)methanone Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CN(N=C2C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CN(N=C2C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O3S/c1-14-7-9-15(10-8-14)21(25)17-13-23(16-5-3-2-4-6-16)22-20(17)18-11-12-19(28-18)24(26)27/h2-13H,1H3