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

Systemtic Name: 2-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-2-methyl-4-phenyl-thiazole-5-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-4-phenyl-5-thiazolecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-2-methyl-4-phenyl-thiazole-5-carboxamide Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(S1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O4S/c1-11-20-16(12-5-3-2-4-6-12)17(26-11)18(23)19-10-13-9-14(21(24)25)7-8-15(13)22/h2-9,22H,10H2,1H3,(H,19,23)