N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-2-chloro-5-nitro-benzamide CAS Name: N-[4-(4-butoxyphenyl)-2-thiazolyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloro-5-nitrobenzamide Traditional Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-2-chloro-5-nitro-benzamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-2-3-10-28-15-7-4-13(5-8-15)18-12-29-20(22-18)23-19(25)16-11-14(24(26)27)6-9-17(16)21/h4-9,11-12H,2-3,10H2,1H3,(H,22,23,25)