8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyridine

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyridine Openeye Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyridine CAS Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-3-(4-nitrophenyl)imidazo[1,2-a]pyridine IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-3-(4-nitrophenyl)imidazo[1,2-a]pyridine Traditional Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-3-(4-nitrophenyl)imidazo[1,2-a]pyridine Formula: C21H15N5O2S MolecularWeight: 401.4411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=CN4C3=NC=C4C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=CC=CN4C3=NC=C4C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O2S/c27-26(28)16-9-7-14(8-10-16)19-12-22-20-15(4-3-11-25(19)20)13-29-21-23-17-5-1-2-6-18(17)24-21/h1-12H,13H2,(H,23,24)