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

Systemtic Name: (4-chlorophenyl)-[1-(4-methoxyphenyl)-3-(5-nitrothiophen-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-chlorophenyl)-[1-(4-methoxyphenyl)-3-(5-nitro-2-thienyl)pyrazol-4-yl]methanone CAS Name: (4-chlorophenyl)-[1-(4-methoxyphenyl)-3-(5-nitro-2-thiophenyl)-4-pyrazolyl]methanone IUPAC Name: (4-chlorophenyl)-[1-(4-methoxyphenyl)-3-(5-nitrothiophen-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-chlorophenyl)-[1-(4-methoxyphenyl)-3-(5-nitro-2-thienyl)pyrazol-4-yl]methanone Formula: C21H14ClN3O4S MolecularWeight: 439.87156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(S3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(S3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O4S/c1-29-16-8-6-15(7-9-16)24-12-17(21(26)13-2-4-14(22)5-3-13)20(23-24)18-10-11-19(30-18)25(27)28/h2-12H,1H3