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

Systemtic Name: [4-[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]carbonylpiperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-[5-methyl-1-(m-tolyl)pyrazole-4-carbonyl]piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[[5-methyl-1-(3-methylphenyl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-[5-methyl-1-(m-tolyl)pyrazole-4-carbonyl]piperazino]-(5-nitro-2-thienyl)methanone Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O4S/c1-14-4-3-5-16(12-14)25-15(2)17(13-22-25)20(27)23-8-10-24(11-9-23)21(28)18-6-7-19(31-18)26(29)30/h3-7,12-13H,8-11H2,1-2H3