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

Systemtic Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-4-chloro-3-nitro-benzamide CAS Name: N-[4-(4-butoxyphenyl)-2-thiazolyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4-chloro-3-nitrobenzamide Traditional Name: N-[4-(4-butoxyphenyl)thiazol-2-yl]-4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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