(2Z)-2-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-benzothiophen-3-one

Systemtic Name: (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-benzothiophen-3-one Openeye Name: (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]benzothiophen-3-one CAS Name: (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-benzothiophen-3-one IUPAC Name: (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-benzothiophen-3-one Traditional Name: (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]benzothiophen-3-one Formula: C21H16BrNOS MolecularWeight: 410.32684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C\3/C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C21H16BrNOS/c1-13-11-15(14(2)23(13)17-9-7-16(22)8-10-17)12-20-21(24)18-5-3-4-6-19(18)25-20/h3-12H,1-2H3/b20-12-