N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,4-dinitro-benzamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2,4-dinitro-benzamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,4-dinitrobenzamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-2,4-dinitro-benzamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-20(2,3)13-6-4-12(5-7-13)16-11-30-19(21-16)22-18(25)15-9-8-14(23(26)27)10-17(15)24(28)29/h4-11H,1-3H3,(H,21,22,25)