3-chloranyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(1-ethyl-4-pyrazolyl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-benzothiophene-2-carboxamide Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C=C(C=N1)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O3S/c1-3-20-9-10(7-18-20)8-19(2)16(22)15-14(17)12-5-4-11(21(23)24)6-13(12)25-15/h4-7,9H,3,8H2,1-2H3