N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C22H17N5O3S2 MolecularWeight: 463.53208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])C

InChI

InChI=1S/C22H17N5O3S2/c1-11-6-12(2)20-17(7-11)32-22(24-20)26-19(8-13(3)25-26)23-21(28)18-10-14-9-15(27(29)30)4-5-16(14)31-18/h4-10H,1-3H3,(H,23,28)