N-(1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyrazol-1-ylethyl)benzothiophene-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-[2-(1-pyrazolyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-5-nitro-N-(2-pyrazol-1-ylethyl)benzothiophene-2-carboxamide Formula: C21H15N5O3S2 MolecularWeight: 449.5055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O3S2/c27-20(19-13-14-12-15(26(28)29)6-7-17(14)30-19)25(11-10-24-9-3-8-22-24)21-23-16-4-1-2-5-18(16)31-21/h1-9,12-13H,10-11H2