4-(4-chloranyl-3-methyl-phenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]butanamide CAS Name: 4-(4-chloro-3-methylphenoxy)-N-[4-(4-nitrophenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(4-chloro-3-methylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]butyramide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

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