N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridinyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridyl]-5-nitro-benzothiophene-2-carboxamide Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C19H15N5O3S/c1-11-7-12(2)23(22-11)18-6-3-14(10-20-18)21-19(25)17-9-13-8-15(24(26)27)4-5-16(13)28-17/h3-10H,1-2H3,(H,21,25)