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

Systemtic Name: [1-(4-methoxyphenyl)-3-(5-nitrothiophen-2-yl)pyrazol-4-yl]-(4-methylphenyl)methanone Openeye Name: [1-(4-methoxyphenyl)-3-(5-nitro-2-thienyl)pyrazol-4-yl]-(p-tolyl)methanone CAS Name: [1-(4-methoxyphenyl)-3-(5-nitro-2-thiophenyl)-4-pyrazolyl]-(4-methylphenyl)methanone IUPAC Name: [1-(4-methoxyphenyl)-3-(5-nitrothiophen-2-yl)pyrazol-4-yl]-(4-methylphenyl)methanone Traditional Name: [1-(4-methoxyphenyl)-3-(5-nitro-2-thienyl)pyrazol-4-yl]-(p-tolyl)methanone Formula: C22H17N3O4S MolecularWeight: 419.45308

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O4S/c1-14-3-5-15(6-4-14)22(26)18-13-24(16-7-9-17(29-2)10-8-16)23-21(18)19-11-12-20(30-19)25(27)28/h3-13H,1-2H3