(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[4-(thiazol-4-ylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[4-(4-thiazolylmethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-[4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-[4-(thiazol-4-ylmethoxy)phenyl]acrylonitrile Formula: C21H13BrN4O2S MolecularWeight: 465.32252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br)OCC4=CSC=N4

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br)OCC4=CSC=N4

InChI

InChI=1S/C21H13BrN4O2S/c22-15-3-6-19-18(8-15)21(27)26-20(25-19)14(9-23)7-13-1-4-17(5-2-13)28-10-16-11-29-12-24-16/h1-8,11-12H,10H2,(H,25,26,27)/b14-7+