N-[(4-methylphenyl)methyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-methylbenzyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-11-2-4-12(5-3-11)9-18-16(21)10-25-17-19-14-8-13(20(22)23)6-7-15(14)24-17/h2-8H,9-10H2,1H3,(H,18,21)