N-butyl-4-nitro-5-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: N-butyl-4-nitro-5-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: N-butyl-4-nitro-5-pyrrolidin-1-yl-N-(2-thienylmethyl)-2,1,3-benzoxadiazol-7-amine CAS Name: N-butyl-4-nitro-5-(1-pyrrolidinyl)-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-butyl-4-nitro-5-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: butyl-(7-nitro-6-pyrrolidino-benzofurazan-4-yl)-(2-thenyl)amine Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C19H23N5O3S/c1-2-3-8-23(13-14-7-6-11-28-14)15-12-16(22-9-4-5-10-22)19(24(25)26)18-17(15)20-27-21-18/h6-7,11-12H,2-5,8-10,13H2,1H3