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

Systemtic Name: N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-2-nitro-benzamide Openeye Name: N-[5-methyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-yl]-2-nitro-benzamide CAS Name: N-[5-methyl-2-[4-(4-methylphenyl)-2-thiazolyl]-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]-2-nitrobenzamide Traditional Name: N-[5-methyl-2-[4-(p-tolyl)thiazol-2-yl]pyrazol-3-yl]-2-nitro-benzamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3S/c1-13-7-9-15(10-8-13)17-12-30-21(22-17)25-19(11-14(2)24-25)23-20(27)16-5-3-4-6-18(16)26(28)29/h3-12H,1-2H3,(H,23,27)