2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3,5-dimethylphenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3,5-dimethylphenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(3,5-dimethylanilino)prop-2-enenitrile CAS Name: 2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(3,5-dimethylanilino)-2-propenenitrile IUPAC Name: 2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3,5-dimethylanilino)prop-2-enenitrile Traditional Name: 2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-3-(3,5-dimethylanilino)acrylonitrile Formula: C23H16BrN3O2S MolecularWeight: 478.36104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)C

InChI

InChI=1S/C23H16BrN3O2S/c1-13-5-14(2)7-18(6-13)26-11-16(10-25)22-27-20(12-30-22)19-9-15-8-17(24)3-4-21(15)29-23(19)28/h3-9,11-12,26H,1-2H3