N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H12ClN3O5S/c1-24-13-4-2-9(6-11(13)17)18-15(21)8-26-16-19-12-7-10(20(22)23)3-5-14(12)25-16/h2-7H,8H2,1H3,(H,18,21)