1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]ethanone Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O4S/c1-4-19-10(2)7-13(11(19)3)15(21)9-25-17-18-14-8-12(20(22)23)5-6-16(14)24-17/h5-8H,4,9H2,1-3H3