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

Systemtic Name: (4-chlorophenyl)-[1-(4-methylphenyl)-3-(5-nitrothiophen-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-chlorophenyl)-[3-(5-nitro-2-thienyl)-1-(p-tolyl)pyrazol-4-yl]methanone CAS Name: (4-chlorophenyl)-[1-(4-methylphenyl)-3-(5-nitro-2-thiophenyl)-4-pyrazolyl]methanone IUPAC Name: (4-chlorophenyl)-[1-(4-methylphenyl)-3-(5-nitrothiophen-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-chlorophenyl)-[3-(5-nitro-2-thienyl)-1-(p-tolyl)pyrazol-4-yl]methanone Formula: C21H14ClN3O3S MolecularWeight: 423.87216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H14ClN3O3S/c1-13-2-8-16(9-3-13)24-12-17(21(26)14-4-6-15(22)7-5-14)20(23-24)18-10-11-19(29-18)25(27)28/h2-12H,1H3