1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C28H25N3OS2 MolecularWeight: 483.6476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3OS2/c1-19-15-23(20(2)31(19)14-13-21-9-5-3-6-10-21)25(32)17-33-27-24-16-26(22-11-7-4-8-12-22)34-28(24)30-18-29-27/h3-12,15-16,18H,13-14,17H2,1-2H3