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

Systemtic Name: 3-chloranyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-nitro-benzothiophene-2-carboxamide Formula: C15H13ClN4O3S MolecularWeight: 364.80672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C15H13ClN4O3S/c1-8-9(7-19(2)18-8)6-17-15(21)14-13(16)11-4-3-10(20(22)23)5-12(11)24-14/h3-5,7H,6H2,1-2H3,(H,17,21)