(5Z)-2-(3-bromophenyl)imino-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1,3-thiazol-4-olate

Systemtic Name: (5Z)-2-(3-bromophenyl)imino-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1,3-thiazol-4-olate Openeye Name: (5Z)-2-(3-bromophenyl)imino-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]thiazol-4-olate CAS Name: (5Z)-2-(3-bromophenyl)imino-5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-4-thiazololate IUPAC Name: (5Z)-2-(3-bromophenyl)imino-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-thiazol-4-olate Traditional Name: (5Z)-2-(3-bromophenyl)imino-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-3-thiazolin-4-olate Formula: C22H23BrN3OS- MolecularWeight: 457.40652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=NC(=NC4=CC(=CC=C4)Br)S3)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C\3/C(=NC(=NC4=CC(=CC=C4)Br)S3)[O-]

InChI

InChI=1S/C22H24BrN3OS/c1-14-11-16(15(2)26(14)19-9-4-3-5-10-19)12-20-21(27)25-22(28-20)24-18-8-6-7-17(23)13-18/h6-8,11-13,19H,3-5,9-10H2,1-2H3,(H,24,25,27)/p-1/b20-12-