N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-thienylmethyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-thenyl)acetamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-13-20(24(26)27)14(2)23(21-13)12-19(25)22(11-16-4-3-9-30-16)15-5-6-17-18(10-15)29-8-7-28-17/h3-6,9-10H,7-8,11-12H2,1-2H3