1-[5-(4-chlorophenyl)-3-(5-nitrothiophen-2-yl)pyrazol-1-yl]-2-phenylazanyl-ethanone

Systemtic Name: 1-[5-(4-chlorophenyl)-3-(5-nitrothiophen-2-yl)pyrazol-1-yl]-2-phenylazanyl-ethanone Openeye Name: 2-anilino-1-[5-(4-chlorophenyl)-3-(5-nitro-2-thienyl)pyrazol-1-yl]ethanone CAS Name: 2-anilino-1-[5-(4-chlorophenyl)-3-(5-nitro-2-thiophenyl)-1-pyrazolyl]ethanone IUPAC Name: 2-anilino-1-[5-(4-chlorophenyl)-3-(5-nitrothiophen-2-yl)pyrazol-1-yl]ethanone Traditional Name: 2-anilino-1-[5-(4-chlorophenyl)-3-(5-nitro-2-thienyl)pyrazol-1-yl]ethanone Formula: C21H15ClN4O3S MolecularWeight: 438.8868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O3S/c22-15-8-6-14(7-9-15)18-12-17(19-10-11-21(30-19)26(28)29)24-25(18)20(27)13-23-16-4-2-1-3-5-16/h1-12,23H,13H2