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

Systemtic Name: N7-butyl-4-nitro-N5-pyridin-2-yl-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N7-butyl-4-nitro-N5-(2-pyridyl)-N7-(2-thienylmethyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-butyl-4-nitro-N5-(2-pyridinyl)-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 7-N-butyl-4-nitro-5-N-pyridin-2-yl-7-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: butyl-[7-nitro-6-(2-pyridylamino)benzofurazan-4-yl]-(2-thenyl)amine Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

Isomeric SMILES

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=N4

InChI

InChI=1S/C20H20N6O3S/c1-2-3-10-25(13-14-7-6-11-30-14)16-12-15(22-17-8-4-5-9-21-17)20(26(27)28)19-18(16)23-29-24-19/h4-9,11-12H,2-3,10,13H2,1H3,(H,21,22)