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

Systemtic Name: 2-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[5-methyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-yl]-3-nitro-benzamide CAS Name: 2-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-2-thiazolyl]-3-pyrazolyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-3-nitrobenzamide Traditional Name: 2-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=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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