N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-chloranyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-chloranyl-3,5-dinitro-benzamide Openeye Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-4-chloro-3,5-dinitro-benzamide CAS Name: N-[4-(4-tert-butylphenyl)-2-thiazolyl]-4-chloro-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-chloro-3,5-dinitrobenzamide Traditional Name: N-[4-(4-tert-butylphenyl)thiazol-2-yl]-4-chloro-3,5-dinitro-benzamide Formula: C20H17ClN4O5S MolecularWeight: 460.89078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O5S/c1-20(2,3)13-6-4-11(5-7-13)14-10-31-19(22-14)23-18(26)12-8-15(24(27)28)17(21)16(9-12)25(29)30/h4-10H,1-3H3,(H,22,23,26)