1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(6-nitro-1-indazolyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Formula: C20H18N4O3S MolecularWeight: 394.44692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C20H18N4O3S/c1-13-8-18(14(2)22(13)11-17-4-3-7-28-17)20(25)12-23-19-9-16(24(26)27)6-5-15(19)10-21-23/h3-10H,11-12H2,1-2H3