5-[(E)-1-[2-butyl-3-[(3-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-3-thiophen-2-yl-prop-1-en-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[(E)-1-[2-butyl-3-[(3-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-3-thiophen-2-yl-prop-1-en-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[(E)-2-[2-butyl-3-[(3-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-1-(2-thienylmethyl)vinyl]-2H-tetrazole CAS Name: 5-[(E)-1-[2-butyl-3-[(3-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-3-thiophen-2-ylprop-1-en-2-yl]-2H-tetrazole IUPAC Name: 5-[(E)-1-[2-butyl-3-[(3-nitrophenyl)methyl]-1,2-dihydroimidazol-5-yl]-3-thiophen-2-ylprop-1-en-2-yl]-2H-tetrazole Traditional Name: 5-[(E)-2-[2-butyl-1-(3-nitrobenzyl)-4-imidazolin-4-yl]-1-(2-thenyl)vinyl]-2H-tetrazole Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC(=CC=C2)[N+](=O)[O-])C=C(CC3=CC=CS3)C4=NNN=N4

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC(=CC=C2)[N+](=O)[O-])/C=C(\CC3=CC=CS3)/C4=NNN=N4

InChI

InChI=1S/C22H25N7O2S/c1-2-3-9-21-23-18(15-28(21)14-16-6-4-7-19(11-16)29(30)31)12-17(22-24-26-27-25-22)13-20-8-5-10-32-20/h4-8,10-12,15,21,23H,2-3,9,13-14H2,1H3,(H,24,25,26,27)/b17-12+