N-[(2-chloranyl-5-nitro-phenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]thiazole-5-carboxamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-5-thiazolecarboxamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-N,4-dimethyl-2-[(4-methylphenoxy)methyl]thiazole-5-carboxamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=C(S2)C(=O)N(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=C(S2)C(=O)N(C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C21H20ClN3O4S/c1-13-4-7-17(8-5-13)29-12-19-23-14(2)20(30-19)21(26)24(3)11-15-10-16(25(27)28)6-9-18(15)22/h4-10H,11-12H2,1-3H3