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

Systemtic Name: [1-(4-methoxyphenyl)-3-(5-nitrothiophen-2-yl)pyrazol-4-yl]-phenyl-methanone Openeye Name: [1-(4-methoxyphenyl)-3-(5-nitro-2-thienyl)pyrazol-4-yl]-phenyl-methanone CAS Name: [1-(4-methoxyphenyl)-3-(5-nitro-2-thiophenyl)-4-pyrazolyl]-phenylmethanone IUPAC Name: [1-(4-methoxyphenyl)-3-(5-nitrothiophen-2-yl)pyrazol-4-yl]-phenylmethanone Traditional Name: [1-(4-methoxyphenyl)-3-(5-nitro-2-thienyl)pyrazol-4-yl]-phenyl-methanone Formula: C21H15N3O4S MolecularWeight: 405.4265

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O4S/c1-28-16-9-7-15(8-10-16)23-13-17(21(25)14-5-3-2-4-6-14)20(22-23)18-11-12-19(29-18)24(26)27/h2-13H,1H3