4-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[5-methyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide CAS Name: 4-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-2-thiazolyl]-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[5-methyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c1-13-4-7-16(8-5-13)18-12-31-22(23-18)26-20(10-15(3)25-26)24-21(28)17-9-6-14(2)19(11-17)27(29)30/h4-12H,1-3H3,(H,24,28)