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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/c1-3-11(2)12-4-6-13(7-5-12)15-10-31-20(22-15)23-19(26)14-8-16(24(27)28)18(21)17(9-14)25(29)30/h4-11H,3H2,1-2H3,(H,22,23,26)