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

Systemtic Name: N7-butyl-4-nitro-N5-(phenylmethyl)-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-butyl-4-nitro-N7-(2-thienylmethyl)-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-butyl-4-nitro-N5-(phenylmethyl)-N7-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-butyl-4-nitro-7-N-(thiophen-2-ylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: [6-(benzylamino)-7-nitro-benzofurazan-4-yl]-butyl-(2-thenyl)amine Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CCCCN(CC1=CC=CS1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O3S/c1-2-3-11-26(15-17-10-7-12-31-17)19-13-18(23-14-16-8-5-4-6-9-16)22(27(28)29)21-20(19)24-30-25-21/h4-10,12-13,23H,2-3,11,14-15H2,1H3