N7-cyclopentyl-4-nitro-N5-pyridin-2-yl-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-cyclopentyl-4-nitro-N5-pyridin-2-yl-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-cyclopentyl-4-nitro-N5-(2-pyridyl)-N7-(2-thienylmethyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-cyclopentyl-4-nitro-N5-(2-pyridinyl)-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-cyclopentyl-4-nitro-5-N-pyridin-2-yl-7-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: cyclopentyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]-(2-thenyl)amine Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=CS2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

Isomeric SMILES

C1CCC(C1)N(CC2=CC=CS2)C3=CC(=C(C4=NON=C34)[N+](=O)[O-])NC5=CC=CC=N5

InChI

InChI=1S/C21H20N6O3S/c28-27(29)21-16(23-18-9-3-4-10-22-18)12-17(19-20(21)25-30-24-19)26(14-6-1-2-7-14)13-15-8-5-11-31-15/h3-5,8-12,14H,1-2,6-7,13H2,(H,22,23)