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

Systemtic Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-(6-nitro-1-indazolyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C21H20N4O3S/c1-14-10-19(15(2)23(14)8-7-18-4-3-9-29-18)21(26)13-24-20-11-17(25(27)28)6-5-16(20)12-22-24/h3-6,9-12H,7-8,13H2,1-2H3