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

Systemtic Name: 3-chloranyl-N-[(1-methylpyrazol-4-yl)methyl]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(1-methylpyrazol-4-yl)methyl]-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(1-methyl-4-pyrazolyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(1-methylpyrazol-4-yl)methyl]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(1-methylpyrazol-4-yl)methyl]-6-nitro-benzothiophene-2-carboxamide Formula: C14H11ClN4O3S MolecularWeight: 350.78014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN4O3S/c1-18-7-8(6-17-18)5-16-14(20)13-12(15)10-3-2-9(19(21)22)4-11(10)23-13/h2-4,6-7H,5H2,1H3,(H,16,20)