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

Systemtic Name: 3-chloranyl-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(1-ethyl-3-methyl-pyrazol-4-yl)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)C)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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