N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-nitro-furan-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-nitro-furan-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-nitrofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-nitro-2-furamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(O4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(O4)[N+](=O)[O-])C

InChI

InChI=1S/C19H17N5O4S/c1-12-11-13(2)23(21-12)10-9-22(18(25)15-7-8-17(28-15)24(26)27)19-20-14-5-3-4-6-16(14)29-19/h3-8,11H,9-10H2,1-2H3